data_2v6z_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 2v6z _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.74 -43.64 97.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.438 0.563 . . . . 0.0 110.63 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 48.6 m -59.45 -36.93 76.86 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.39 96.59 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -69.54 -41.83 75.42 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.434 0.694 . . . . 0.0 111.168 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.91 -37.98 84.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.96 -24.93 66.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.53 1.132 . . . . 0.0 113.388 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -97.36 -1.37 44.65 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.553 1.541 . . . . 0.0 113.794 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.57 1.07 74.89 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 125.19 1.376 . . . . 0.0 114.752 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -85.13 167.98 15.24 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 122.889 1.328 . . . . 0.0 111.621 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.94 158.43 40.26 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 128.075 2.55 . . . . 0.0 106.975 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 33.5 tp -137.71 125.87 23.03 Favored 'General case' 0 C--O 1.238 0.466 0 O-C-N 121.673 -0.642 . . . . 0.0 111.974 -173.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -57.08 156.57 6.91 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.909 1.684 . . . . 0.0 113.82 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.1 -33.63 85.93 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 123.853 0.739 . . . . 0.0 114.318 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -73.23 -28.23 62.04 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.189 -1.183 . . . . 0.0 111.852 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.95 -43.08 20.27 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.541 1.136 . . . . 0.0 112.861 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 tp -58.8 -44.91 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.496 0.718 . . . . 0.0 110.359 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.76 -43.86 94.1 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.324 1.45 . . . . 0.0 112.028 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -58.32 -53.67 55.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.285 0.634 . . . . 0.0 111.597 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.277 4.0 pp -74.37 -24.2 59.12 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 178.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -63.2 -40.7 98.25 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.447 -0.783 . . . . 0.0 110.256 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.99 -37.05 67.16 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.557 -0.714 . . . . 0.0 112.296 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.49 65.39 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -110.49 7.47 22.67 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.155 1.782 . . . . 0.0 112.66 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -51.61 -30.0 19.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.129 1.772 . . . . 0.0 115.162 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 45.8 m -116.87 6.32 13.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.767 1.227 . . . . 0.0 113.58 -176.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.09 142.96 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.982 0.913 . . . . 0.0 110.633 174.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 22.5 m -52.9 129.46 30.32 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.009 1.723 . . . . 0.0 112.901 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.72 -32.69 67.66 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . 0.415 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.6 pt? -88.03 -4.24 58.81 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.887 1.275 . . . . 0.0 113.754 177.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -114.12 -6.91 13.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.184 1.794 . . . . 0.0 112.567 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 64.5 tp -57.6 -41.95 82.26 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.837 1.655 . . . . 0.0 111.887 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.31 -46.03 71.38 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.303 0.641 . . . . 0.0 111.871 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.38 -34.53 78.54 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.183 0.993 . . . . 0.0 112.868 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -68.82 -53.93 18.7 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.02 1.328 . . . . 0.0 112.202 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.97 -26.2 67.38 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.907 1.283 . . . . 0.0 111.878 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.38 -26.82 68.68 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.075 -1.016 . . . . 0.0 112.318 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.97 -29.41 64.21 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.496 -0.753 . . . . 0.0 111.79 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 52.3 mt -69.13 -50.82 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.16 -43.51 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.361 0.664 . . . . 0.0 111.502 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -60.62 -25.17 66.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.7 -40.84 18.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.91 0.777 . . . . 0.0 111.387 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.85 -40.09 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.891 0.876 . . . . 0.0 111.136 173.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.0 -7.64 5.71 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -125.97 10.64 7.62 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.497 1.519 . . . . 0.0 114.033 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -99.23 154.56 37.24 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 125.392 1.477 . . . . 0.0 111.678 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.28 126.07 11.96 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.007 2.471 . . . . 0.0 111.594 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.03 167.62 29.82 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.254 1.821 . . . . 0.0 112.0 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 80.1 p -138.72 8.05 2.55 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.044 1.338 . . . . 0.0 114.179 -174.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.6 t -153.28 159.74 42.6 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.312 1.845 . . . . 0.0 110.559 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -77.83 -5.25 50.24 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.489 -0.757 . . . . 0.0 112.181 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 52.1 tpp -83.13 104.19 13.12 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.869 1.267 . . . . 0.0 110.749 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mm -80.32 143.04 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 125.316 1.446 . . . . 0.0 110.243 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -126.12 165.95 17.93 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.455 1.502 . . . . 0.0 113.226 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -54.93 -44.68 74.48 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.426 -0.796 . . . . 0.0 111.872 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 17.9 t -57.48 -33.81 68.38 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.445 0.698 . . . . 0.0 112.803 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.77 -46.71 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.883 0.873 . . . . 0.0 111.018 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.7 -38.44 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.024 0.93 . . . . 0.0 112.659 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -60.15 -21.5 61.71 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.121 1.769 . . . . 0.0 113.307 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.91 -32.75 10.06 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.91 1.684 . . . . 0.0 112.5 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.88 80.02 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.1 0.96 . . . . 0.0 113.506 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.64 -30.87 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.895 0.878 . . . . 0.0 112.746 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -62.88 -33.41 75.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.601 1.161 . . . . 0.0 112.36 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -78.43 -32.39 48.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.272 1.029 . . . . 0.0 112.133 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 24.1 p -73.54 -22.29 60.14 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.97 2.108 . . . . 0.0 113.539 -174.302 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.09 -44.93 87.27 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.732 0.413 . . . . 0.0 111.975 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -60.1 -37.26 79.45 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.42 0.688 . . . . 0.0 112.26 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.65 98.64 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.337 -0.852 . . . . 0.0 112.327 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -67.15 -42.36 84.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.289 0.636 . . . . 0.0 111.168 173.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.62 -38.79 85.88 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.507 1.123 . . . . 0.0 113.648 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 56.5 mt -60.69 -30.65 70.07 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.467 1.107 . . . . 0.0 112.59 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -87.15 -7.29 58.14 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.91 1.284 . . . . 0.0 113.452 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.3 -0.26 59.99 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.953 1.74 . . . . 0.0 114.584 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.79 165.44 16.01 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.2 1.4 . . . . 0.0 112.13 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 88.7 mt -131.93 94.56 3.51 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.984 1.714 . . . . 0.0 109.404 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.43 121.63 13.15 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.074 0.95 . . . . 0.0 110.875 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -63.93 159.98 18.67 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.074 1.35 . . . . 0.0 113.62 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.49 -31.88 81.63 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 123.896 0.76 . . . . 0.0 114.034 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -75.55 -22.7 56.83 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.065 -1.256 . . . . 0.0 112.043 172.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.72 -41.09 12.78 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.147 1.379 . . . . 0.0 113.05 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 tp -55.68 -43.67 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 123.832 0.853 . . . . 0.0 110.852 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -61.57 -43.8 98.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.254 1.422 . . . . 0.0 112.192 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -60.38 -52.56 64.74 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.403 0.681 . . . . 0.0 111.97 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.284 3.4 pp -73.43 -23.37 60.12 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -62.61 -39.18 92.95 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.158 0.89 . . . . 0.0 110.525 173.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -74.25 -36.26 63.86 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.422 0.689 . . . . 0.0 112.511 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.02 -19.09 64.11 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 62.2 mt -120.26 14.26 12.09 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.597 1.959 . . . . 0.0 111.781 -175.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -61.29 -16.41 45.43 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 74.5 p -116.71 -0.81 12.25 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.942 1.697 . . . . 0.0 113.7 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mm -74.33 141.21 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.377 1.071 . . . . 0.0 111.05 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m -56.4 127.79 32.79 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.936 1.695 . . . . 0.0 112.845 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.4 -24.88 58.11 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -174.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . 0.428 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.6 pt? -98.53 -10.32 23.66 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.546 1.138 . . . . 0.0 113.629 177.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -97.86 -17.99 18.97 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.596 1.558 . . . . 0.0 111.714 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 58.5 tp -53.89 -37.67 63.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.654 1.982 . . . . 0.0 112.777 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -68.22 -27.22 66.18 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -92.16 -36.0 13.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.165 1.386 . . . . 0.0 111.933 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -61.41 -50.24 73.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.41 1.084 . . . . 0.0 111.345 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.01 -20.98 66.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.392 1.077 . . . . 0.0 112.752 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.13 -24.97 67.89 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 120.954 -1.092 . . . . 0.0 111.905 175.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -72.06 -32.34 66.99 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.204 -0.935 . . . . 0.0 111.467 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.78 -50.84 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 84.8 mt -53.1 -48.52 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.798 0.839 . . . . 0.0 111.193 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -61.85 -26.13 67.94 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.48 -31.59 26.44 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.863 0.865 . . . . 0.0 112.301 174.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.66 -38.79 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.703 1.201 . . . . 0.0 110.45 173.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -58.98 -12.7 4.9 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -116.99 3.89 12.8 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -87.27 152.61 52.96 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.928 0.891 . . . . 0.0 110.815 173.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.41 125.49 10.21 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.501 2.134 . . . . 0.0 111.436 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 pp -155.61 168.18 28.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.636 1.574 . . . . 0.0 112.093 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -137.28 14.72 3.01 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.31 1.444 . . . . 0.0 112.932 -175.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -150.32 158.62 44.36 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.416 1.886 . . . . 0.0 110.55 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -80.14 -3.57 49.39 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 1.3 mmt -73.44 128.49 35.65 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.543 -0.723 . . . . 0.0 110.019 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 mm -109.09 99.38 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.857 0.863 . . . . 0.0 109.503 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.87 164.22 26.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.414 1.485 . . . . 0.0 113.988 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.42 -47.16 66.5 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.903 1.281 . . . . 0.0 111.99 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 19.4 m -64.88 -26.19 68.22 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.47 1.108 . . . . 0.0 113.575 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.26 -41.75 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.172 0.989 . . . . 0.0 110.148 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.96 -35.85 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 121.432 -0.793 . . . . 0.0 111.731 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -56.76 -25.95 56.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.981 1.312 . . . . 0.0 113.343 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.64 -30.71 12.68 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.294 1.438 . . . . 0.0 113.15 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.4 81.74 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.156 -0.965 . . . . 0.0 113.196 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.97 -27.82 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.09 -1.006 . . . . 0.0 113.151 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -67.55 -20.68 65.44 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.521 1.529 . . . . 0.0 112.706 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -100.45 -35.36 9.58 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.025 1.73 . . . . 0.0 111.263 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 28.2 p -72.44 -15.95 61.82 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.757 1.623 . . . . 0.0 113.195 -172.855 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -42.74 99.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.928 0.891 . . . . 0.0 111.699 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -58.45 -40.34 82.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.663 1.185 . . . . 0.0 112.637 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.33 98.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.497 0.719 . . . . 0.0 112.853 175.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -70.05 -41.1 74.64 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.204 -0.935 . . . . 0.0 111.229 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -57.26 -49.92 74.52 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.384 1.474 . . . . 0.0 112.226 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.7 -26.41 65.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -71.76 -32.62 67.88 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.768 1.227 . . . . 0.0 112.298 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.02 4.42 6.02 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.237 1.875 . . . . 0.0 114.887 176.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -99.55 167.0 10.88 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.631 1.572 . . . . 0.0 112.175 -174.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.57 83.1 2.11 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.033 1.733 . . . . 0.0 109.166 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.37 115.82 3.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.277 1.031 . . . . 0.0 110.736 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -64.25 162.2 15.13 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.739 1.616 . . . . 0.0 113.303 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.85 -43.01 99.79 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 123.814 0.721 . . . . 0.0 113.427 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 23.6 pm0 -65.86 -24.25 66.83 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.47 -1.017 . . . . 0.0 113.144 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.36 -44.16 10.4 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.656 1.182 . . . . 0.0 112.698 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -43.32 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.615 0.766 . . . . 0.0 109.765 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -58.93 -44.19 91.29 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.811 1.644 . . . . 0.0 111.777 174.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.56 -53.2 60.38 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 122.973 0.509 . . . . 0.0 112.013 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.297 3.1 pp -71.67 -21.17 61.84 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 177.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.8 m -63.97 -39.11 93.39 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.019 0.928 . . . . 0.0 109.902 172.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -75.4 -35.54 61.0 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.577 -0.702 . . . . 0.0 112.045 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.12 -19.67 65.65 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -115.7 12.36 15.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.851 1.66 . . . . 0.0 112.906 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -60.87 -18.0 53.64 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 24.4 m -109.53 12.25 24.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.248 1.819 . . . . 0.0 113.033 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.21 142.68 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.262 1.425 . . . . 0.0 110.622 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 39.6 m -53.41 129.22 31.39 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.644 1.978 . . . . 0.0 112.869 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.09 -32.83 68.45 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . 0.414 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.3 pt? -85.02 -4.19 59.06 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.726 1.21 . . . . 0.0 114.197 176.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -114.93 -14.79 11.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.403 1.481 . . . . 0.0 112.74 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.0 -43.04 63.46 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.625 1.57 . . . . 0.0 111.937 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -69.56 -26.26 64.4 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -88.27 -37.68 15.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.546 1.138 . . . . 0.0 111.815 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -60.79 -49.43 77.53 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.831 1.252 . . . . 0.0 111.221 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.86 -19.44 64.14 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.069 1.347 . . . . 0.0 113.242 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.88 -28.29 69.4 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.07 -1.019 . . . . 0.0 111.645 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -71.92 -34.34 68.99 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.936 0.895 . . . . 0.0 111.632 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 61.0 mt -64.66 -50.89 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 173.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -52.59 -50.14 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.163 0.985 . . . . 0.0 111.214 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -63.48 -23.49 67.42 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.79 -26.44 25.77 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.359 0.981 . . . . 0.0 112.486 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.42 -39.5 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.964 1.306 . . . . 0.0 109.892 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -62.59 -8.41 6.39 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.55 6.63 12.53 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -91.18 155.11 44.86 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.602 1.161 . . . . 0.0 111.42 174.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.16 133.45 17.95 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.801 2.334 . . . . 0.0 111.304 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.34 167.23 27.88 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.21 1.804 . . . . 0.0 111.847 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 34.4 m -124.62 2.14 8.25 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.848 1.259 . . . . 0.0 114.079 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 93.8 p -152.85 175.18 13.18 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.003 1.721 . . . . 0.0 110.706 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -85.44 6.58 26.1 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.324 -0.86 . . . . 0.0 113.188 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -75.64 131.98 40.3 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.37 -0.831 . . . . 0.0 110.03 174.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.4 mm -113.76 98.38 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 123.956 0.903 . . . . 0.0 108.671 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.78 168.76 19.52 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.593 1.157 . . . . 0.0 113.886 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -51.0 -49.9 59.51 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.127 0.971 . . . . 0.0 111.459 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -58.56 -30.74 67.37 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.031 0.932 . . . . 0.0 112.873 -175.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.15 -43.65 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.658 1.183 . . . . 0.0 111.159 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -67.87 -37.81 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 121.276 -0.89 . . . . 0.0 112.112 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.27 -20.46 59.13 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.293 1.837 . . . . 0.0 113.127 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.12 -33.8 10.31 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.152 1.781 . . . . 0.0 112.334 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.49 82.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.104 0.962 . . . . 0.0 113.318 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.2 -30.7 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.554 1.141 . . . . 0.0 112.543 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -65.26 -32.98 74.92 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.392 1.077 . . . . 0.0 111.784 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -87.37 -15.43 37.88 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.689 1.996 . . . . 0.0 113.5 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 57.7 p -125.8 -5.94 6.86 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.008 1.723 . . . . 0.0 113.606 174.718 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.07 -44.15 96.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.884 0.874 . . . . 0.0 111.936 174.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 70.7 m -60.35 -35.46 75.72 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.111 0.965 . . . . 0.0 112.799 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.92 95.75 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.996 -1.065 . . . . 0.0 112.697 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -62.4 -45.68 92.04 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.541 -0.724 . . . . 0.0 110.278 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -57.14 -41.92 80.02 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.327 1.451 . . . . 0.0 113.162 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 57.0 mt -64.77 -35.05 79.84 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.466 1.106 . . . . 0.0 113.27 175.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -77.16 -12.72 59.98 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.87 5.72 30.86 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.978 1.752 . . . . 0.0 114.841 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.91 166.29 12.8 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 112.443 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 90.7 mt -124.98 81.54 1.97 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.586 1.954 . . . . 0.0 109.339 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 tp -61.63 115.75 4.19 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.394 1.078 . . . . 0.0 110.8 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -60.39 157.19 14.32 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.296 1.438 . . . . 0.0 112.476 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.41 -30.09 75.26 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 123.425 0.536 . . . . 0.0 113.694 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.2 -21.1 59.96 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.291 -1.123 . . . . 0.0 113.079 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.45 -37.29 10.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.934 1.293 . . . . 0.0 112.448 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 tp -61.03 -39.78 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 121.36 -0.838 . . . . 0.0 111.372 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.78 -20.77 63.46 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -74.49 -52.46 11.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.66 0.784 . . . . 0.0 110.954 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.25 2.1 pp -84.86 -16.37 41.48 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -175.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 5.7 t -66.08 -34.31 77.78 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.013 1.278 . . . . 0.0 110.862 173.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -69.73 -34.07 73.34 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.992 -1.068 . . . . 0.0 111.539 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.34 -14.69 63.17 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.286 1.034 . . . . 0.0 113.005 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 94.8 mt -105.78 -2.08 23.59 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.148 1.779 . . . . 0.0 113.331 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -55.22 -26.54 40.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.041 1.336 . . . . 0.0 113.926 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 38.9 m -115.82 22.98 12.63 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.571 1.549 . . . . 0.0 112.48 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mm -116.29 144.28 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.87 1.668 . . . . 0.0 110.689 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 30.4 m -52.72 134.96 36.05 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.028 2.131 . . . . 0.0 113.542 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.51 -16.28 45.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -108.51 4.71 24.48 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.282 1.433 . . . . 0.0 113.447 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -126.51 -4.72 6.57 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.531 1.532 . . . . 0.0 113.257 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 pp -58.95 -36.22 74.43 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.016 0.926 . . . . 0.0 112.629 -174.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.6 -45.12 63.08 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.228 0.611 . . . . 0.0 111.338 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.74 -36.83 84.31 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.809 0.843 . . . . 0.0 112.341 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -66.18 -55.26 17.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.752 1.221 . . . . 0.0 110.879 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.0 -19.83 65.99 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.364 1.065 . . . . 0.0 113.08 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.31 -32.16 68.19 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.243 -0.911 . . . . 0.0 110.819 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.29 -37.6 77.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.145 0.978 . . . . 0.0 111.121 176.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 49.6 mt -63.28 -51.62 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.453 1.101 . . . . 0.0 108.868 174.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 98.9 mt -56.39 -44.09 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.635 0.774 . . . . 0.0 111.213 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.22 -25.47 68.35 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.15 -30.16 21.26 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.435 1.016 . . . . 0.0 112.085 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.18 -42.37 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.294 1.438 . . . . 0.0 109.795 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.34 -24.7 67.48 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -81.49 -15.23 55.62 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -81.08 128.85 69.53 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 124.128 0.971 . . . . 0.0 110.115 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.41 132.02 49.69 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.594 2.196 . . . . 0.0 113.174 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 pp -157.22 170.28 22.84 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.501 1.52 . . . . 0.0 112.148 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.9 p -137.38 7.63 2.85 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.239 1.416 . . . . 0.0 113.986 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 46.8 m -157.65 161.97 38.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.444 1.898 . . . . 0.0 110.752 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -80.62 1.77 28.44 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 21.9 ttm -82.42 130.46 35.11 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.083 0.953 . . . . 0.0 111.303 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -115.3 115.43 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.504 1.122 . . . . 0.0 110.559 -174.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -94.21 171.37 8.87 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.201 1.4 . . . . 0.0 113.727 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -56.27 -45.86 79.92 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.474 -0.766 . . . . 0.0 112.127 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 9.4 t -54.63 -32.91 59.76 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 87.0 t -74.86 -46.83 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.891 0.877 . . . . 0.0 111.944 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 28.0 m -70.61 -31.99 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 119.881 1.219 . . . . 0.0 113.141 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -63.69 -20.12 65.46 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.979 1.711 . . . . 0.0 112.958 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.23 -31.75 11.22 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.754 1.622 . . . . 0.0 112.545 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.45 82.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.123 -0.986 . . . . 0.0 113.26 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.1 -28.39 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.794 0.837 . . . . 0.0 112.867 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -66.62 -16.95 64.56 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.51 1.524 . . . . 0.0 113.203 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -116.9 -6.59 11.46 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.545 1.538 . . . . 0.0 113.277 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 52.4 p -122.6 1.16 9.46 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -174.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.254 1.325 0 C-N-CA 126.664 1.985 . . . . 0.0 111.906 174.546 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -35.69 70.13 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.736 -1.228 . . . . 0.0 112.351 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -57.72 -34.35 69.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.255 1.022 . . . . 0.0 113.726 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.18 78.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.15 0.886 . . . . 0.0 112.247 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -66.38 -43.03 87.04 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.529 0.731 . . . . 0.0 110.968 173.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -57.48 -51.17 70.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.657 1.583 . . . . 0.0 112.337 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.04 -27.23 65.47 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -68.46 -35.01 76.96 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.429 1.092 . . . . 0.0 111.825 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.72 2.25 4.42 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.157 1.837 . . . . 0.0 114.946 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.39 165.56 13.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.077 1.351 . . . . 0.0 112.232 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 95.1 mt -128.22 56.19 1.63 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.435 1.894 . . . . 0.0 110.502 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 42.9 tp -43.07 119.67 1.59 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.022 2.129 . . . . 0.0 112.893 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -68.43 159.79 30.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.25 1.42 . . . . 0.0 112.512 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.98 -26.98 72.46 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 123.903 0.764 . . . . 0.0 114.926 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -79.17 -31.88 44.05 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.573 1.187 . . . . 0.0 111.062 173.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.78 49.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.753 1.221 . . . . 0.0 112.532 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.4 tp -60.96 -44.44 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 121.687 -0.633 . . . . 0.0 110.831 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.49 -44.92 89.57 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.723 1.609 . . . . 0.0 111.52 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . 0.525 ' HH ' HG13 ' M' ' 95' ' ' VAL . 63.6 t80 -56.65 -54.99 39.73 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.944 0.898 . . . . 0.0 111.809 178.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.27 3.1 pp -74.62 -23.03 58.64 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 21.2 m -65.32 -42.0 93.42 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.698 0.799 . . . . 0.0 110.32 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.75 -36.5 75.85 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.622 -0.674 . . . . 0.0 112.121 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.85 -12.63 61.03 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 94.7 mt -123.04 10.45 9.43 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.455 1.902 . . . . 0.0 112.558 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -59.76 -24.57 64.18 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.093 1.357 . . . . 0.0 113.666 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 72.6 p -104.65 -4.62 22.27 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.207 1.803 . . . . 0.0 114.352 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -73.82 142.56 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.281 1.032 . . . . 0.0 111.403 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 31.0 m -54.99 126.3 23.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.253 1.821 . . . . 0.0 112.269 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.02 -34.38 73.28 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . 0.424 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.5 pt? -79.26 -6.84 57.57 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.562 1.145 . . . . 0.0 113.949 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -108.43 -5.09 16.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.819 1.648 . . . . 0.0 112.64 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 66.5 tp -52.94 -43.84 66.61 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.313 1.445 . . . . 0.0 111.35 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -67.33 -19.0 65.39 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -102.56 -34.19 9.2 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.835 1.254 . . . . 0.0 111.832 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -68.98 -50.01 52.76 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.34 0.656 . . . . 0.0 112.079 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.45 -26.78 68.69 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.537 1.135 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.84 -30.79 71.77 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.452 0.701 . . . . 0.0 111.75 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.61 -38.04 86.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.758 0.823 . . . . 0.0 111.447 175.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 52.3 mt -66.17 -51.08 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.518 0.727 . . . . 0.0 109.105 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.59 -45.96 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.807 0.731 . . . . 0.0 111.013 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.7 -25.51 68.2 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.196 -0.94 . . . . 0.0 113.495 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.07 -29.2 23.57 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.457 1.026 . . . . 0.0 112.391 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.25 -41.71 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.821 1.248 . . . . 0.0 109.635 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -65.33 -22.79 66.86 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.94 -16.08 57.44 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -82.95 126.81 71.76 Favored Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 124.601 1.16 . . . . 0.0 109.8 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.94 130.76 42.43 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.09 2.526 . . . . 0.0 112.776 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -155.26 169.25 24.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.242 1.417 . . . . 0.0 112.628 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 78.9 p -138.1 6.13 2.59 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.509 1.524 . . . . 0.0 113.83 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 17.6 t -151.91 164.1 37.83 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.434 1.893 . . . . 0.0 110.485 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -94.58 6.6 48.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.129 0.972 . . . . 0.0 113.485 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 43.1 mmm -78.83 126.59 30.91 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.475 -0.766 . . . . 0.0 109.87 173.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 39.7 mm -111.43 102.87 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.366 0.666 . . . . 0.0 109.92 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.61 169.53 17.53 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.888 1.275 . . . . 0.0 113.676 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -55.84 -45.47 78.4 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.602 0.761 . . . . 0.0 111.912 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 9.8 t -55.27 -32.66 62.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.99 -46.67 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.901 0.881 . . . . 0.0 112.321 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.96 -32.34 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-N 119.453 1.024 . . . . 0.0 112.832 175.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -63.14 -19.88 64.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.646 1.578 . . . . 0.0 112.875 174.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.59 -31.16 10.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.846 1.658 . . . . 0.0 113.149 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.57 76.04 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.934 -1.104 . . . . 0.0 113.55 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . 0.525 HG13 ' HH ' ' M' ' 52' ' ' TYR . 9.4 p -61.89 -29.27 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.594 -0.692 . . . . 0.0 112.273 174.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -64.51 -20.4 66.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.269 1.027 . . . . 0.0 113.155 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -108.25 -7.37 15.98 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.368 1.467 . . . . 0.0 113.625 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 67.8 p -130.21 -0.98 4.57 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -173.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.892 2.077 . . . . 0.0 114.299 176.662 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -42.09 95.61 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.441 -0.787 . . . . 0.0 111.41 174.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.3 m -62.03 -36.63 82.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.379 1.071 . . . . 0.0 112.446 174.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.17 75.06 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.103 -0.998 . . . . 0.0 112.149 174.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -56.67 -44.88 81.83 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.066 0.848 . . . . 0.0 110.588 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -57.93 -43.56 86.35 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.888 1.675 . . . . 0.0 113.261 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.41 -33.72 76.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.109 0.964 . . . . 0.0 113.385 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.54 -12.06 59.97 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 176.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.78 -3.85 34.18 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 126.129 1.823 . . . . 0.0 114.386 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.65 174.81 8.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.467 1.507 . . . . 0.0 111.473 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 88.2 mt -135.92 155.18 50.67 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.667 1.987 . . . . 0.0 107.552 173.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 tp -126.12 124.13 39.85 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 tpt85 -54.14 -24.74 18.99 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -171.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.67 -19.9 37.91 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.478 1.037 . . . . 0.0 113.362 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -99.84 -31.02 11.71 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.709 1.204 . . . . 0.0 109.896 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.63 76.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.383 1.073 . . . . 0.0 113.073 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 tp -59.7 -41.48 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.604 0.762 . . . . 0.0 111.111 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -60.23 -45.11 94.35 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.547 1.539 . . . . 0.0 111.647 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -58.62 -53.16 61.5 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.61 0.764 . . . . 0.0 111.693 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.251 4.4 pp -73.1 -23.92 60.57 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 177.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 18.3 m -63.11 -40.56 98.0 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.391 -0.818 . . . . 0.0 110.369 172.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.24 -32.99 67.19 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.245 -0.91 . . . . 0.0 112.501 174.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.9 -20.71 55.9 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 80.8 mt -118.86 8.54 11.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.487 1.515 . . . . 0.0 113.423 -174.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -55.48 -20.81 13.86 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 47.7 m -112.35 -2.97 14.64 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.202 1.401 . . . . 0.0 113.555 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mm -76.46 136.66 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.942 0.897 . . . . 0.0 109.901 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 18.2 m -53.37 128.21 27.65 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.913 1.685 . . . . 0.0 113.124 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.86 -35.22 74.33 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . 0.439 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.2 pt? -75.86 -2.63 31.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.341 1.456 . . . . 0.0 114.44 174.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -123.44 -2.33 8.49 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.725 2.01 . . . . 0.0 112.34 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.38 -47.08 86.8 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 125.172 1.389 . . . . 0.0 111.859 -174.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -67.37 -40.35 85.73 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.291 0.496 . . . . 0.0 112.14 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.12 -37.86 88.97 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.497 -0.752 . . . . 0.0 112.363 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -68.24 -54.38 18.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.173 0.989 . . . . 0.0 111.101 173.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.47 -30.31 68.44 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.25 1.42 . . . . 0.0 111.983 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.78 -30.38 70.0 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.428 -0.795 . . . . 0.0 112.065 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -66.32 -36.62 83.39 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.492 -0.755 . . . . 0.0 111.091 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.51 -52.25 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.025 0.93 . . . . 0.0 108.553 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 87.3 mt -56.03 -42.78 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.755 0.822 . . . . 0.0 111.228 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -66.31 -27.25 67.77 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.46 -32.12 32.71 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.099 0.96 . . . . 0.0 112.407 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.32 -40.02 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.531 1.132 . . . . 0.0 110.599 173.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.94 -22.56 60.21 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 174.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -81.79 -13.78 57.26 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -88.47 149.44 44.45 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 124.612 1.165 . . . . 0.0 111.036 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.19 131.57 16.77 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.411 2.074 . . . . 0.0 111.142 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 pp -156.51 168.17 28.18 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.468 1.507 . . . . 0.0 112.617 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.7 p -134.49 9.28 3.68 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.225 1.41 . . . . 0.0 113.923 -174.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -150.94 157.75 43.29 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.433 1.893 . . . . 0.0 110.216 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -78.15 -4.2 46.34 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.706 -0.621 . . . . 0.0 112.489 174.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 56.4 tpp -77.51 130.97 37.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.972 0.909 . . . . 0.0 111.336 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.8 mm -115.42 136.37 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 125.943 1.697 . . . . 0.0 109.559 -175.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -118.83 165.92 13.44 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.982 1.313 . . . . 0.0 113.184 -174.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -56.34 -41.06 75.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.969 0.908 . . . . 0.0 112.29 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -62.77 -27.91 69.61 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.54 -43.93 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.79 0.836 . . . . 0.0 110.903 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.64 -37.06 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.499 -0.751 . . . . 0.0 112.053 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -58.13 -24.64 59.53 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.024 1.329 . . . . 0.0 113.394 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.45 -34.58 10.96 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.201 1.4 . . . . 0.0 112.81 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.85 78.97 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.084 -1.01 . . . . 0.0 113.309 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.88 -31.07 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.404 -0.81 . . . . 0.0 112.609 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -69.3 -27.23 65.21 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.159 1.384 . . . . 0.0 112.472 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -92.33 -9.76 40.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.167 1.787 . . . . 0.0 112.839 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 61.2 p -126.64 5.98 6.8 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -173.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.995 1.718 . . . . 0.0 112.381 179.145 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -44.07 97.87 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.49 -0.756 . . . . 0.0 111.561 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 33.6 t -61.22 -39.91 92.02 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.185 0.994 . . . . 0.0 112.318 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.33 96.72 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.629 -0.669 . . . . 0.0 112.253 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -64.87 -44.64 89.04 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.248 -0.908 . . . . 0.0 110.625 173.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.6 -50.26 73.7 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.35 -24.25 65.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 72.4 mmt-85 -81.67 -11.58 59.02 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.321 1.449 . . . . 0.0 113.086 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.4 2.4 27.72 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.712 1.625 . . . . 0.0 115.673 173.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -99.81 168.7 9.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.199 1.399 . . . . 0.0 112.742 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.83 82.56 2.08 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.501 1.92 . . . . 0.0 109.61 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.82 121.63 14.48 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.681 1.192 . . . . 0.0 111.389 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -62.65 159.46 16.05 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.899 1.28 . . . . 0.0 113.308 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.8 -26.01 72.01 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.302 0.953 . . . . 0.0 114.749 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.0 -31.55 56.56 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.164 -1.198 . . . . 0.0 110.761 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.82 -41.75 22.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.266 1.426 . . . . 0.0 113.193 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.2 tp -55.33 -43.99 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.605 0.762 . . . . 0.0 110.984 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -60.93 -43.48 98.58 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.46 1.504 . . . . 0.0 112.109 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -61.21 -54.39 44.88 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.104 0.561 . . . . 0.0 112.163 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.31 2.7 pp -71.62 -23.68 61.75 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 17.3 m -64.23 -42.87 96.35 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.225 -0.922 . . . . 0.0 110.417 173.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.49 -35.87 70.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.402 0.681 . . . . 0.0 112.614 174.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -15.95 63.59 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.2 mt -121.99 10.67 10.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.008 1.723 . . . . 0.0 112.912 -174.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -61.57 -14.33 29.12 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 40.0 m -118.77 1.43 11.58 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.223 1.409 . . . . 0.0 113.723 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mm -74.02 145.64 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.03 0.932 . . . . 0.0 110.409 174.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.61 143.94 57.42 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.347 1.059 . . . . 0.0 113.716 -174.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.8 -30.41 65.66 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -174.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . 0.403 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.7 pt? -100.94 -8.24 22.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.642 1.177 . . . . 0.0 113.514 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -101.67 -10.1 20.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.058 1.343 . . . . 0.0 112.524 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.6 tp -56.34 -42.66 78.07 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.356 1.463 . . . . 0.0 112.097 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -68.1 -47.56 67.88 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.54 -33.75 76.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.663 0.785 . . . . 0.0 112.18 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -67.87 -56.19 10.06 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.825 1.25 . . . . 0.0 111.185 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -28.78 69.6 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.119 0.968 . . . . 0.0 112.476 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.26 -28.18 69.53 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.472 -0.767 . . . . 0.0 112.404 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -71.65 -32.74 68.25 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.333 -0.854 . . . . 0.0 111.486 174.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 39.6 mt -65.99 -50.63 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.31 -44.24 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.598 0.759 . . . . 0.0 111.106 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -64.04 -22.98 67.16 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.15 -33.46 18.2 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.687 1.131 . . . . 0.0 111.739 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.55 -41.14 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.717 1.207 . . . . 0.0 110.238 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.88 -6.53 6.1 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.748 1.619 . . . . 0.0 115.249 174.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -111.24 -2.78 15.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.781 1.632 . . . . 0.0 113.776 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -89.04 154.03 49.43 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.45 1.1 . . . . 0.0 110.866 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.45 123.24 8.52 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.675 2.25 . . . . 0.0 111.262 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 pp -155.28 169.59 23.84 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.789 1.636 . . . . 0.0 112.255 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 19.8 m -135.62 15.19 3.4 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.096 1.358 . . . . 0.0 112.975 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -151.08 156.37 40.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.212 1.805 . . . . 0.0 110.501 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -83.4 -2.71 56.45 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.425 0.69 . . . . 0.0 112.371 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 15.8 ttm -78.52 128.94 34.27 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.832 0.853 . . . . 0.0 110.793 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 35.7 mm -115.33 108.56 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.512 1.125 . . . . 0.0 110.922 -173.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.64 166.52 21.0 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.024 0.93 . . . . 0.0 113.331 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -54.24 -44.61 71.89 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.655 1.182 . . . . 0.0 111.971 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -59.95 -29.68 68.57 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.387 1.075 . . . . 0.0 113.114 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.06 -44.03 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.396 1.079 . . . . 0.0 110.688 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -63.61 -40.6 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.579 0.752 . . . . 0.0 111.923 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -58.76 -15.65 13.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.5 1.52 . . . . 0.0 113.985 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -104.63 -35.63 7.75 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.833 1.653 . . . . 0.0 111.712 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.78 84.27 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.16 -0.963 . . . . 0.0 113.37 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.84 -31.68 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.133 0.973 . . . . 0.0 112.553 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -69.67 -28.08 65.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.9 1.28 . . . . 0.0 112.847 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -92.9 -8.75 42.44 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.304 1.442 . . . . 0.0 112.777 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 59.2 p -125.76 5.73 7.42 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.339 1.856 . . . . 0.0 112.724 177.313 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -44.77 95.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.934 0.894 . . . . 0.0 112.34 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 24.6 m -65.81 -32.51 74.08 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.443 -0.786 . . . . 0.0 112.695 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.99 95.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.313 0.645 . . . . 0.0 112.074 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.3 -45.0 86.13 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.689 -0.632 . . . . 0.0 110.237 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.82 -48.65 80.84 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.88 -25.46 66.41 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.032 0.833 . . . . 0.0 113.125 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -80.59 -10.79 59.72 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.973 1.309 . . . . 0.0 113.048 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.71 1.3 30.63 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.827 1.68 . . . . 0.0 115.424 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.53 168.98 10.36 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.932 1.293 . . . . 0.0 112.572 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.7 mt -128.8 89.0 2.81 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.23 1.812 . . . . 0.0 109.649 175.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.71 116.52 6.35 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.646 1.178 . . . . 0.0 111.001 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -61.25 159.24 12.55 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.533 1.533 . . . . 0.0 113.463 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.59 -29.79 76.13 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 123.586 0.612 . . . . 0.0 113.7 174.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.6 -21.44 60.33 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.216 1.008 . . . . 0.0 112.557 173.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.13 -39.74 11.42 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.747 1.219 . . . . 0.0 112.566 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 8.9 tp -59.53 -39.2 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.293 -0.879 . . . . 0.0 111.633 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -70.53 -10.61 59.66 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -88.91 -57.47 2.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.776 0.83 . . . . 0.0 110.601 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.266 1.7 pp -73.07 -16.15 61.49 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -175.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 13.7 t -58.97 -33.34 70.55 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.386 1.074 . . . . 0.0 113.09 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -99.84 -17.34 17.69 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.834 1.254 . . . . 0.0 113.373 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.19 -17.28 60.41 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.152 -0.967 . . . . 0.0 112.785 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 79.1 mt -123.94 8.9 8.72 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.548 1.939 . . . . 0.0 112.677 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -61.98 -25.67 67.76 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.045 -1.035 . . . . 0.0 113.444 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -88.16 1.78 53.6 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.813 1.645 . . . . 0.0 113.738 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -103.32 142.09 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.465 1.506 . . . . 0.0 111.052 -176.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 35.7 m -53.06 132.5 38.04 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 127.207 2.203 . . . . 0.0 113.232 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.35 -29.91 61.97 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.96 -9.26 26.46 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.187 1.395 . . . . 0.0 113.703 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.96 -9.15 20.92 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.337 1.455 . . . . 0.0 111.457 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.46 -39.52 80.16 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.578 1.951 . . . . 0.0 112.166 -176.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.44 -43.52 80.93 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.55 -35.22 77.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.717 0.807 . . . . 0.0 112.456 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -67.55 -53.83 25.06 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.024 1.33 . . . . 0.0 111.702 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.99 -20.12 65.67 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.581 1.152 . . . . 0.0 112.944 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.03 -32.94 70.19 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.584 0.753 . . . . 0.0 110.678 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.42 -31.49 67.29 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.11 0.964 . . . . 0.0 111.614 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 57.0 mt -67.69 -50.61 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.143 0.977 . . . . 0.0 108.444 174.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 89.8 mt -58.71 -41.58 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.398 -0.814 . . . . 0.0 111.135 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.42 -22.96 66.83 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.046 -1.034 . . . . 0.0 113.595 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.75 -31.49 20.91 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.277 1.031 . . . . 0.0 112.625 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.79 -39.7 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.735 1.214 . . . . 0.0 110.346 173.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -61.63 -17.97 57.51 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 175.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -87.05 -9.71 54.8 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -95.79 151.28 38.31 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.593 1.157 . . . . 0.0 111.453 -175.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.54 128.96 13.17 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.633 2.222 . . . . 0.0 111.391 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 pp -157.16 168.0 28.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.783 1.633 . . . . 0.0 111.59 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 23.3 m -130.7 4.67 4.61 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.506 1.122 . . . . 0.0 113.589 -174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 86.0 p -151.65 171.22 17.99 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.531 1.533 . . . . 0.0 111.263 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -82.67 0.9 41.12 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 21.5 ttm -83.31 129.41 35.0 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.151 -0.968 . . . . 0.0 111.032 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.52 109.34 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.735 1.214 . . . . 0.0 110.947 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -82.17 168.72 17.4 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.895 1.278 . . . . 0.0 113.763 175.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -52.42 -49.65 64.09 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.364 1.065 . . . . 0.0 111.625 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -57.76 -30.37 65.57 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.346 1.058 . . . . 0.0 112.818 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.2 -45.34 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.739 1.216 . . . . 0.0 111.068 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.36 -39.63 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.895 0.878 . . . . 0.0 112.227 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -60.0 -20.57 58.46 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.168 1.787 . . . . 0.0 113.262 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.65 -34.8 8.93 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.129 1.772 . . . . 0.0 112.799 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.01 79.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.49 1.116 . . . . 0.0 113.206 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.52 -32.68 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.18 -0.95 . . . . 0.0 112.63 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -64.2 -28.07 69.49 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.406 1.482 . . . . 0.0 112.625 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -84.06 -35.71 23.58 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.839 1.656 . . . . 0.0 111.209 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 23.7 p -68.55 -19.59 64.5 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.957 1.703 . . . . 0.0 112.211 -173.151 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -38.44 71.99 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.619 1.168 . . . . 0.0 112.49 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -56.07 -34.58 66.09 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.01 -44.57 65.62 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.059 -1.026 . . . . 0.0 112.451 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -59.95 -43.59 94.93 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.641 -0.662 . . . . 0.0 110.526 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -58.13 -44.66 87.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.194 1.798 . . . . 0.0 112.876 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 44.9 mt -61.76 -37.24 83.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.947 0.899 . . . . 0.0 113.152 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -76.74 -12.88 60.05 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.53 10.17 36.41 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.306 1.431 . . . . 0.0 114.932 174.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -87.08 161.56 18.07 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.673 1.189 . . . . 0.0 112.489 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -126.99 57.23 1.47 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.055 2.142 . . . . 0.0 109.646 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 48.6 tp -48.94 117.62 2.18 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.5 1.92 . . . . 0.0 112.496 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -59.41 156.53 12.78 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.394 1.878 . . . . 0.0 112.88 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.77 -43.37 96.51 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 123.872 0.749 . . . . 0.0 113.844 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.33 -26.34 66.5 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.88 1.272 . . . . 0.0 113.865 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.71 -38.9 11.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.118 1.367 . . . . 0.0 112.103 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -43.82 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.43 0.692 . . . . 0.0 109.9 176.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -65.74 -35.01 79.51 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.893 0.77 . . . . 0.0 112.635 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.97 -53.91 53.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.714 0.806 . . . . 0.0 111.296 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.256 3.1 pp -75.48 -24.24 56.9 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 44.5 m -63.85 -41.98 97.69 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.848 0.749 . . . . 0.0 111.128 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.47 -38.53 65.41 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.361 0.665 . . . . 0.0 112.512 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.03 -18.96 65.69 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -121.67 13.31 10.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.299 1.84 . . . . 0.0 112.045 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -61.78 -20.77 63.94 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.705 1.202 . . . . 0.0 113.684 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.2 p -105.34 -5.62 20.32 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.806 1.642 . . . . 0.0 114.492 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 2.4 mm -72.8 141.71 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.354 1.062 . . . . 0.0 110.669 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -61.32 132.87 54.95 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.21 1.404 . . . . 0.0 112.3 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.5 -34.06 68.69 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -173.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -86.28 -14.63 43.15 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.306 1.043 . . . . 0.0 113.345 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -95.52 -18.3 20.75 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.205 1.402 . . . . 0.0 111.915 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.5 tp -56.4 -39.8 73.59 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 126.571 1.948 . . . . 0.0 111.825 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.39 -43.65 93.79 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.49 -37.6 68.4 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.87 0.868 . . . . 0.0 112.624 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -62.41 -57.17 12.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.652 1.181 . . . . 0.0 111.416 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tt -68.71 -20.96 64.43 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.491 1.116 . . . . 0.0 112.937 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -60.55 -30.63 69.89 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.287 -0.883 . . . . 0.0 110.649 173.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.85 -36.18 79.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.544 0.737 . . . . 0.0 111.335 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.95 -47.88 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.125 0.97 . . . . 0.0 109.287 174.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 90.3 mt -58.31 -44.49 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.926 0.785 . . . . 0.0 110.925 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -66.6 -20.62 66.05 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 120.776 -1.202 . . . . 0.0 113.6 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.4 -18.27 28.71 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.059 1.344 . . . . 0.0 112.895 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.69 -40.58 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.344 1.458 . . . . 0.0 108.615 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.24 -28.77 69.96 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -78.42 -12.71 60.02 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -85.4 151.27 56.0 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 124.418 1.087 . . . . 0.0 110.74 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.27 122.69 8.57 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.389 2.06 . . . . 0.0 111.38 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -152.58 169.6 22.27 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.789 1.636 . . . . 0.0 111.878 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 81.8 p -138.08 7.85 2.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.01 1.324 . . . . 0.0 113.821 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 54.7 m -157.03 160.41 38.94 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.849 1.66 . . . . 0.0 111.47 175.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -84.19 3.28 35.86 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.902 1.281 . . . . 0.0 113.92 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 9.5 ttm -89.3 81.72 6.62 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.718 1.207 . . . . 0.0 111.416 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 31.4 mm -65.71 139.78 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.466 1.106 . . . . 0.0 111.017 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.15 165.43 14.78 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.374 1.47 . . . . 0.0 112.873 -174.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -54.19 -47.72 71.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.499 0.72 . . . . 0.0 111.01 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 8.1 m -59.66 -25.61 64.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.026 0.93 . . . . 0.0 113.322 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 97.7 t -81.46 -43.76 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.671 1.189 . . . . 0.0 111.38 174.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.34 -38.89 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 121.318 -0.864 . . . . 0.0 112.55 176.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -60.88 -18.95 59.26 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.253 1.821 . . . . 0.0 113.201 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.17 -31.03 10.78 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.148 1.779 . . . . 0.0 112.009 173.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.8 -38.25 88.48 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.959 -1.088 . . . . 0.0 113.094 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.81 -29.97 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.823 0.849 . . . . 0.0 112.672 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -71.84 -20.56 61.8 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.191 1.397 . . . . 0.0 112.899 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -99.91 -8.94 23.39 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.295 1.838 . . . . 0.0 112.866 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 61.6 p -128.45 7.68 5.86 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -173.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.158 1.783 . . . . 0.0 112.459 176.06 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.88 -39.67 94.74 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.406 -0.809 . . . . 0.0 111.184 174.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -61.53 -35.8 78.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.813 0.845 . . . . 0.0 112.558 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -46.06 81.97 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.017 -1.052 . . . . 0.0 112.513 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -60.77 -43.91 97.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.037 0.935 . . . . 0.0 110.915 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -58.24 -44.8 88.43 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.382 1.873 . . . . 0.0 113.02 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.4 -32.87 72.82 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.132 0.973 . . . . 0.0 113.032 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.41 -9.39 59.47 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 174.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.87 5.26 41.62 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.68 1.609 . . . . 0.0 115.452 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.52 164.73 15.29 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.516 1.158 . . . . 0.0 113.158 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.78 77.82 1.78 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.541 2.336 . . . . 0.0 109.264 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.04 125.62 24.62 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.344 1.058 . . . . 0.0 112.004 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -65.89 159.64 25.08 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.654 1.182 . . . . 0.0 112.955 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.5 -24.94 73.89 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.234 0.921 . . . . 0.0 114.996 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -81.13 -31.59 34.14 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.765 1.282 . . . . 0.0 110.774 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.31 -40.64 58.29 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.585 1.154 . . . . 0.0 112.159 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.63 -44.43 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 121.922 -0.486 . . . . 0.0 110.538 173.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -60.54 -40.62 92.19 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.506 1.522 . . . . 0.0 112.17 176.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -60.2 -54.17 49.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.592 0.757 . . . . 0.0 111.979 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.56 -21.88 57.49 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 16.3 m -58.72 -36.77 74.82 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.342 1.057 . . . . 0.0 111.352 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.25 -28.44 59.84 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.03 -38.51 61.46 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.991 0.916 . . . . 0.0 112.528 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.76 -7.09 59.28 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.996 1.318 . . . . 0.0 113.308 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -57.07 -28.59 62.72 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.3 p -109.34 -1.49 18.46 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.569 1.547 . . . . 0.0 113.807 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mm -77.67 143.5 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.559 1.144 . . . . 0.0 111.415 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m -54.68 128.28 31.89 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.256 1.822 . . . . 0.0 112.378 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.55 -34.3 73.94 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -175.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . 0.422 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.4 pt? -78.74 -3.92 46.68 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -116.02 -1.66 12.45 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.211 1.804 . . . . 0.0 112.424 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 tp -53.95 -46.64 71.63 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.651 1.58 . . . . 0.0 111.715 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.04 -43.66 91.61 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.248 0.619 . . . . 0.0 112.568 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.42 -35.23 70.91 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -69.16 -51.71 35.46 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.317 1.047 . . . . 0.0 112.457 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.8 -24.71 67.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.239 1.016 . . . . 0.0 112.453 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.9 -35.66 77.22 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.736 0.815 . . . . 0.0 111.325 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -68.62 -31.86 71.32 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.045 0.938 . . . . 0.0 111.46 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 62.7 mt -70.81 -52.78 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 78.6 mt -57.93 -41.9 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.383 0.673 . . . . 0.0 111.457 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.68 -25.91 67.69 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 174.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.18 -21.32 22.24 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.66 1.184 . . . . 0.0 113.011 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -75.13 -41.32 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.41 1.084 . . . . 0.0 108.904 171.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.21 -13.12 57.52 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.867 1.667 . . . . 0.0 115.099 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -108.05 0.18 21.59 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -85.42 145.39 42.25 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.233 1.013 . . . . 0.0 111.102 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.12 104.36 1.83 Allowed 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.278 2.652 . . . . 0.0 111.931 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 pp -139.31 -2.94 1.58 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 6.7 t 49.42 15.64 0.14 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.054 2.142 . . . . 0.0 116.559 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -144.23 -170.24 3.31 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.74 1.616 . . . . 0.0 111.715 -174.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -122.96 -2.64 8.69 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.604 1.562 . . . . 0.0 112.424 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 19.4 ttm -83.2 127.36 33.56 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.194 -0.942 . . . . 0.0 109.391 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 34.8 mm -113.35 108.49 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.13 0.972 . . . . 0.0 111.686 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.73 165.23 23.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.825 1.25 . . . . 0.0 113.369 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -56.78 -43.42 80.84 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.326 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t -56.54 -35.45 68.11 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.838 0.744 . . . . 0.0 112.798 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.59 -43.42 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.216 1.006 . . . . 0.0 111.576 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 48.3 t -69.76 -38.68 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.19 0.996 . . . . 0.0 112.308 176.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -59.24 -22.43 61.09 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.9 1.68 . . . . 0.0 112.991 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.03 -32.69 10.49 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.862 1.665 . . . . 0.0 112.452 173.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.8 86.14 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.019 -1.051 . . . . 0.0 113.505 175.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.23 -30.3 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.538 0.735 . . . . 0.0 112.647 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -64.13 -22.97 67.15 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.777 1.631 . . . . 0.0 113.037 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -90.05 -31.25 17.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.88 1.272 . . . . 0.0 111.46 175.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 25.0 p -74.16 -18.62 60.76 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.66 1.584 . . . . 0.0 112.815 -172.883 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -40.64 89.76 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.602 -0.686 . . . . 0.0 111.55 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.2 m -62.41 -32.64 73.5 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.876 0.871 . . . . 0.0 113.229 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.18 77.96 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.536 -0.727 . . . . 0.0 112.316 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.55 -42.69 86.75 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.261 0.624 . . . . 0.0 110.992 173.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -55.02 -50.68 68.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.357 1.863 . . . . 0.0 113.188 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.74 -24.86 64.51 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -69.45 -27.03 64.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.836 1.255 . . . . 0.0 112.905 173.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.91 -3.82 19.12 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 126.289 1.9 . . . . 0.0 114.079 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.06 164.42 14.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.377 1.471 . . . . 0.0 112.377 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.8 mt -129.96 81.65 2.02 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.478 1.911 . . . . 0.0 109.666 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 tp -62.11 120.04 10.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.929 1.692 . . . . 0.0 111.295 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -72.49 165.24 25.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.372 1.069 . . . . 0.0 112.816 -176.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.95 -24.62 73.1 Favored Glycine 0 CA--C 1.539 1.58 0 N-CA-C 115.647 1.019 . . . . 0.0 115.647 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -85.85 -30.35 23.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.987 1.394 . . . . 0.0 110.182 172.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.15 72.5 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.346 1.058 . . . . 0.0 112.116 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 tp -57.81 -45.99 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.753 0.821 . . . . 0.0 110.875 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -60.94 -43.56 98.5 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.104 1.362 . . . . 0.0 112.224 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -58.11 -53.09 62.2 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.849 0.86 . . . . 0.0 111.661 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.281 4.3 pp -73.7 -26.5 60.74 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.7 m -62.67 -40.48 97.21 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.269 0.94 . . . . 0.0 110.683 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -72.17 -33.98 68.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.527 0.731 . . . . 0.0 112.512 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.3 -29.23 67.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.92 11.44 33.58 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.48 1.912 . . . . 0.0 112.469 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -57.86 -18.96 25.69 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -174.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -123.04 7.12 9.23 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.3 1.44 . . . . 0.0 113.353 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -70.42 142.66 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.913 0.885 . . . . 0.0 110.664 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 37.3 m -52.88 132.71 37.48 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.363 1.865 . . . . 0.0 113.076 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.57 -29.16 64.2 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.25 3.23 51.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.395 1.478 . . . . 0.0 113.462 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -120.12 1.0 10.82 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.149 1.779 . . . . 0.0 112.303 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 67.7 tp -56.62 -44.59 81.35 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.136 1.374 . . . . 0.0 111.523 -177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.03 -44.37 76.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.94 0.496 . . . . 0.0 112.093 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.88 -34.2 77.59 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.869 0.868 . . . . 0.0 112.744 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -69.65 -54.14 15.33 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.762 1.225 . . . . 0.0 111.857 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.87 -26.08 67.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.948 1.299 . . . . 0.0 112.847 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -58.94 -34.72 72.07 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.279 1.032 . . . . 0.0 111.15 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.91 -32.35 69.26 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.696 0.798 . . . . 0.0 111.558 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.65 -52.45 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.185 0.994 . . . . 0.0 108.583 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 81.1 mt -56.85 -45.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.851 0.75 . . . . 0.0 111.359 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -63.3 -28.03 69.74 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.83 -33.27 46.21 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.276 0.944 . . . . 0.0 111.37 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 74.2 t -66.4 -41.3 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.404 1.081 . . . . 0.0 110.505 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.21 -21.87 62.3 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -91.96 -12.42 33.41 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.831 1.252 . . . . 0.0 114.269 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.37 150.38 82.51 Favored Pre-proline 0 N--CA 1.473 0.719 0 CA-C-N 119.236 0.925 . . . . 0.0 110.8 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -87.94 27.45 0.54 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.627 2.885 . . . . 0.0 115.359 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 pp -48.16 -20.1 0.33 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 128.538 2.735 . . . . 0.0 116.703 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 20.6 m 52.18 16.63 0.59 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.683 1.993 . . . . 0.0 116.27 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 13.9 t -142.32 -163.49 1.61 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.736 2.014 . . . . 0.0 110.455 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -128.69 4.29 5.51 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.469 1.108 . . . . 0.0 112.834 173.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 64.1 mmm -84.65 125.7 32.71 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.102 0.961 . . . . 0.0 109.665 174.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 29.5 mm -113.76 91.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.977 0.911 . . . . 0.0 109.472 -174.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -73.67 168.01 20.21 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.09 0.956 . . . . 0.0 113.061 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -49.75 -49.06 49.66 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.911 0.885 . . . . 0.0 111.626 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -57.6 -30.1 65.04 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.361 1.065 . . . . 0.0 113.113 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.5 t -74.52 -43.85 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.72 1.208 . . . . 0.0 111.218 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.06 -37.78 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.097 0.959 . . . . 0.0 111.974 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -60.38 -19.85 57.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.181 1.792 . . . . 0.0 112.998 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.63 -27.6 12.98 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.358 1.863 . . . . 0.0 112.448 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.79 -36.37 67.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.267 1.027 . . . . 0.0 113.359 174.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.55 -25.77 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.243 1.017 . . . . 0.0 113.303 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -64.8 -13.39 55.37 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.498 1.519 . . . . 0.0 113.145 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -112.6 -23.79 10.04 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.307 1.443 . . . . 0.0 113.054 174.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 28.8 p -80.51 -15.52 56.51 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.546 1.538 . . . . 0.0 113.048 -172.617 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.64 -43.62 96.27 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.737 0.815 . . . . 0.0 111.808 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 90.5 p -60.81 -35.68 77.1 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.7 96.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.936 0.789 . . . . 0.0 112.958 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -65.63 -44.58 86.03 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.2 0.6 . . . . 0.0 110.803 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.26 -37.11 84.18 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.71 -34.48 75.87 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.262 1.025 . . . . 0.0 112.278 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -82.97 -8.46 59.56 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.597 1.159 . . . . 0.0 113.399 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.91 1.55 48.91 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.999 1.762 . . . . 0.0 114.935 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.54 164.79 17.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.675 1.238 . . . . 0.0 112.875 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -129.02 85.25 2.3 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.787 2.035 . . . . 0.0 109.735 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 25.9 tp -64.47 123.55 19.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.828 1.251 . . . . 0.0 111.502 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -64.55 160.66 19.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.842 1.257 . . . . 0.0 113.17 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.75 -24.06 72.63 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.205 0.907 . . . . 0.0 114.809 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -82.35 -30.65 30.24 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.499 1.15 . . . . 0.0 110.796 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.53 -42.21 53.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.84 1.256 . . . . 0.0 112.526 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.5 tp -58.47 -44.01 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.603 0.761 . . . . 0.0 110.69 174.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.21 -42.89 99.38 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.16 1.384 . . . . 0.0 112.089 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.48 -53.87 53.14 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.321 0.648 . . . . 0.0 111.856 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.286 3.6 pp -72.87 -23.01 60.68 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 18.4 m -62.89 -40.5 97.74 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.209 -0.932 . . . . 0.0 110.422 173.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -74.13 -34.7 63.96 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.529 0.732 . . . . 0.0 112.222 174.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.55 -16.48 63.43 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 79.5 mt -121.86 12.62 10.56 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.616 1.967 . . . . 0.0 112.195 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -58.54 -17.66 23.3 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.8 p -126.84 4.23 6.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.914 1.686 . . . . 0.0 113.963 -177.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 mm -68.38 142.32 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.927 0.891 . . . . 0.0 111.158 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 28.7 m -54.85 127.33 28.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.876 1.671 . . . . 0.0 112.346 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -57.89 -36.72 72.79 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -174.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . 0.437 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.6 pt? -80.67 -5.72 57.38 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.737 1.215 . . . . 0.0 114.046 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -111.65 -4.91 14.57 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.258 1.823 . . . . 0.0 112.672 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.29 -42.7 82.23 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.42 1.488 . . . . 0.0 111.978 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.71 -50.44 62.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.467 0.307 . . . . 0.0 111.652 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.95 -33.37 74.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.668 0.787 . . . . 0.0 112.536 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -69.67 -57.93 4.54 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.684 1.194 . . . . 0.0 111.491 174.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.81 -23.8 67.5 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.101 0.96 . . . . 0.0 112.542 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.2 -29.33 70.3 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.245 -0.909 . . . . 0.0 112.089 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -70.07 -34.8 73.63 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.378 -0.826 . . . . 0.0 111.209 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mt -63.78 -52.02 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 98.1 mt -54.94 -47.59 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.671 0.788 . . . . 0.0 110.963 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -61.56 -26.09 67.73 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.18 -24.96 25.93 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.059 0.845 . . . . 0.0 112.368 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.98 -38.93 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.886 1.274 . . . . 0.0 110.083 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.2 -15.39 33.74 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -114.94 3.27 14.49 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -176.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -82.69 157.09 67.56 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 124.26 1.024 . . . . 0.0 111.015 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.36 115.83 4.48 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.399 2.066 . . . . 0.0 111.579 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.6 169.07 24.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.056 1.742 . . . . 0.0 111.439 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 3.2 t -133.42 10.19 4.06 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.826 1.25 . . . . 0.0 113.186 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -150.73 170.78 18.41 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.569 1.548 . . . . 0.0 111.144 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -85.87 0.95 51.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.23 1.012 . . . . 0.0 113.352 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.1 ttm -84.31 127.58 34.06 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.151 -0.968 . . . . 0.0 111.174 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.8 mm -112.83 104.83 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.495 1.118 . . . . 0.0 110.772 -173.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.63 167.97 20.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.013 0.925 . . . . 0.0 113.362 174.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -53.77 -47.5 70.67 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.753 0.821 . . . . 0.0 111.626 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -57.92 -31.71 67.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.222 1.009 . . . . 0.0 113.037 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.8 t -71.35 -43.55 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.866 1.266 . . . . 0.0 111.317 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 51.9 t -67.42 -38.97 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 O-C-N 121.125 -0.985 . . . . 0.0 111.598 174.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -60.42 -19.97 58.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.278 1.831 . . . . 0.0 112.866 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.61 -32.99 10.81 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.225 1.81 . . . . 0.0 112.326 173.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.31 84.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.474 1.11 . . . . 0.0 113.64 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.65 -27.81 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.045 0.938 . . . . 0.0 112.826 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -68.32 -19.74 64.69 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.385 1.474 . . . . 0.0 113.291 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -112.43 -7.8 13.92 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.214 1.406 . . . . 0.0 113.234 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 59.1 p -119.87 2.64 11.06 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.663 1.985 . . . . 0.0 112.177 174.735 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.15 -39.16 82.71 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.796 -0.565 . . . . 0.0 111.336 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 44.9 m -58.36 -41.27 84.33 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.72 0.808 . . . . 0.0 113.084 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.05 99.64 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.442 -0.786 . . . . 0.0 112.496 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.17 -37.54 78.23 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.815 0.846 . . . . 0.0 112.208 174.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -62.29 -39.46 93.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.624 1.57 . . . . 0.0 112.916 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 68.6 mt -60.37 -28.65 68.37 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.269 1.028 . . . . 0.0 112.935 174.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.93 -8.46 49.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.232 1.413 . . . . 0.0 113.431 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.06 7.3 58.6 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.604 1.573 . . . . 0.0 115.468 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.17 165.83 21.19 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.951 1.375 . . . . 0.0 112.878 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 90.2 mt -126.4 76.94 1.66 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.316 2.246 . . . . 0.0 109.571 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.63 117.12 4.94 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.691 1.196 . . . . 0.0 110.267 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -62.59 161.3 12.35 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.994 0.918 . . . . 0.0 113.136 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -36.34 92.73 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 123.99 0.805 . . . . 0.0 113.437 174.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.96 -31.08 68.62 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.215 -1.168 . . . . 0.0 111.755 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.64 -44.06 29.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.741 1.216 . . . . 0.0 112.812 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -41.93 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.911 0.778 . . . . 0.0 109.678 174.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -59.36 -34.52 72.49 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.671 1.188 . . . . 0.0 112.621 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.92 -53.14 22.62 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.903 -0.498 . . . . 0.0 112.027 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.257 3.8 pp -76.2 -21.95 55.85 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -31.23 72.34 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.999 1.272 . . . . 0.0 111.382 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -80.16 -32.74 38.8 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.245 1.018 . . . . 0.0 112.17 174.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.72 -15.09 63.09 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.906 0.883 . . . . 0.0 112.906 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 80.4 mt -120.84 12.76 11.36 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.133 2.173 . . . . 0.0 112.378 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -57.33 -30.19 64.59 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.282 1.433 . . . . 0.0 113.992 -174.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.6 p -116.07 1.9 13.32 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.648 1.579 . . . . 0.0 113.835 -175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.5 139.51 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.084 0.954 . . . . 0.0 111.252 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 21.4 m -54.35 127.29 26.66 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.014 1.725 . . . . 0.0 112.568 175.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.46 -35.8 72.71 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . 0.42 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.6 pt? -79.52 -6.34 56.79 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.856 1.262 . . . . 0.0 114.144 175.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -112.93 0.02 14.97 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.615 1.966 . . . . 0.0 112.464 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.25 -47.39 78.61 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.07 1.348 . . . . 0.0 111.432 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.16 -40.87 74.48 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.662 0.385 . . . . 0.0 111.863 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.21 -34.45 77.69 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.789 0.836 . . . . 0.0 112.93 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -73.65 -52.08 14.56 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.903 1.281 . . . . 0.0 111.362 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.42 -25.09 64.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.114 1.366 . . . . 0.0 113.236 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -55.28 -36.83 66.56 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.795 1.238 . . . . 0.0 111.792 174.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -67.1 -40.68 86.94 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.173 0.989 . . . . 0.0 111.45 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.57 -49.97 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.115 0.966 . . . . 0.0 109.481 176.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 80.4 mt -56.35 -46.37 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.288 0.635 . . . . 0.0 110.816 177.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -67.97 -8.59 38.43 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.33 -32.14 9.7 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.083 1.353 . . . . 0.0 111.764 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.79 -42.71 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.861 1.265 . . . . 0.0 109.978 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.33 -16.41 60.29 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -93.64 -10.88 33.04 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -80.57 148.59 66.3 Favored Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 124.3 1.04 . . . . 0.0 110.612 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.81 124.82 9.0 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.174 1.916 . . . . 0.0 111.227 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.25 167.47 30.28 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.316 1.446 . . . . 0.0 112.189 177.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 45.2 m -131.6 16.86 4.84 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.591 1.557 . . . . 0.0 112.623 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -150.17 158.2 43.91 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.549 1.94 . . . . 0.0 110.453 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -84.5 -2.2 56.92 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.835 0.854 . . . . 0.0 112.366 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 32.8 ttm -78.89 130.18 35.35 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 120.967 -1.083 . . . . 0.0 112.05 176.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.42 100.16 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.001 1.32 . . . . 0.0 108.709 -174.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.52 167.52 21.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.716 0.806 . . . . 0.0 112.976 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -52.92 -45.75 67.76 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.222 1.009 . . . . 0.0 111.841 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -60.16 -29.39 68.64 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.03 0.932 . . . . 0.0 113.373 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.34 -44.18 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.287 1.035 . . . . 0.0 110.659 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.85 -38.69 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.388 -0.82 . . . . 0.0 111.874 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.29 -16.28 32.98 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.959 1.303 . . . . 0.0 113.611 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.4 -28.71 12.44 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.398 1.479 . . . . 0.0 111.987 174.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.01 -37.24 69.82 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.514 1.126 . . . . 0.0 112.951 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.6 -26.8 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.549 1.14 . . . . 0.0 112.943 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -67.21 -18.59 65.31 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.728 1.611 . . . . 0.0 113.623 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -117.15 -5.75 11.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.376 1.47 . . . . 0.0 113.382 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 67.2 p -124.91 0.25 7.97 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -174.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.154 1.382 . . . . 0.0 113.764 176.84 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.38 -37.51 78.11 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.07 -1.019 . . . . 0.0 111.614 174.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -60.04 -39.78 87.09 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.106 0.963 . . . . 0.0 112.991 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.46 98.1 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.768 -1.208 . . . . 0.0 112.004 175.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -61.28 -44.51 97.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.683 0.793 . . . . 0.0 110.958 173.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -59.65 -43.18 94.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.212 1.405 . . . . 0.0 112.689 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.6 -32.15 73.1 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.557 1.143 . . . . 0.0 113.051 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -82.14 -8.64 59.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.997 0.919 . . . . 0.0 113.415 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.21 4.71 38.12 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.777 1.656 . . . . 0.0 115.156 174.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.04 165.43 14.03 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.837 1.318 . . . . 0.0 113.036 -174.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.45 73.02 1.29 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.189 2.196 . . . . 0.0 109.411 175.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 38.9 tp -58.79 121.33 10.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.87 1.268 . . . . 0.0 111.333 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -62.11 158.35 16.95 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.729 1.212 . . . . 0.0 113.045 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.66 -25.59 71.7 Favored Glycine 0 CA--C 1.541 1.716 0 C-N-CA 124.119 0.866 . . . . 0.0 114.619 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -78.42 -30.87 47.89 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.336 -1.096 . . . . 0.0 110.907 173.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.49 -39.3 24.97 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.559 1.544 . . . . 0.0 113.276 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 tp -56.78 -43.72 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.419 0.687 . . . . 0.0 110.853 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.17 -44.81 94.75 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.765 1.626 . . . . 0.0 112.308 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.39 -51.52 69.57 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.453 0.701 . . . . 0.0 111.813 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.288 4.0 pp -73.56 -24.95 60.17 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 176.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 21.5 m -63.1 -41.23 99.34 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.996 0.817 . . . . 0.0 110.251 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.06 -38.93 69.37 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.402 0.681 . . . . 0.0 112.369 174.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.6 -18.96 65.65 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.0 mt -116.18 9.86 14.77 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.218 1.807 . . . . 0.0 112.267 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -59.07 -27.26 65.36 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.659 1.183 . . . . 0.0 113.539 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 70.0 p -98.28 -7.61 28.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.679 1.592 . . . . 0.0 114.556 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -74.94 143.24 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.13 0.972 . . . . 0.0 111.195 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 57.8 m -54.25 129.45 35.21 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.061 1.745 . . . . 0.0 112.424 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.64 -33.72 73.22 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.331 1.052 . . . . 0.0 113.748 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . 0.451 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.4 pt? -82.02 -4.14 56.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.371 1.469 . . . . 0.0 114.517 175.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -112.79 -6.34 13.85 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.005 1.322 . . . . 0.0 112.515 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 tp -52.43 -45.34 65.92 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.204 1.402 . . . . 0.0 111.27 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.73 -15.67 63.58 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -102.0 -36.53 8.56 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.67 1.188 . . . . 0.0 112.343 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -66.67 -51.16 59.26 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.705 1.202 . . . . 0.0 111.87 174.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.08 -25.76 68.25 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.692 1.197 . . . . 0.0 112.879 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.32 -34.21 70.35 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.08 0.952 . . . . 0.0 111.369 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -70.07 -37.72 75.55 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.275 1.03 . . . . 0.0 111.422 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.7 mt -64.19 -49.84 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.02 0.928 . . . . 0.0 109.269 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.65 -42.04 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.316 0.647 . . . . 0.0 111.128 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.48 -27.29 68.39 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.03 -1.044 . . . . 0.0 113.772 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.87 -31.18 31.65 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.23 0.923 . . . . 0.0 112.404 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.69 -40.98 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.503 1.121 . . . . 0.0 110.114 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.67 -17.72 63.23 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -81.1 -13.06 59.09 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -91.56 152.25 43.3 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.595 1.158 . . . . 0.0 111.356 -175.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 128.33 11.94 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.499 2.132 . . . . 0.0 111.344 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 pp -157.73 169.04 25.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.983 1.713 . . . . 0.0 111.788 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -135.48 7.98 3.34 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.847 1.259 . . . . 0.0 113.473 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -151.16 169.61 21.46 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.857 1.663 . . . . 0.0 111.133 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -85.19 2.67 42.71 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 16.9 ttm -84.09 127.13 33.7 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.146 -0.971 . . . . 0.0 110.957 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 34.6 mm -115.07 110.78 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.354 1.062 . . . . 0.0 110.489 -173.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -86.51 166.41 15.49 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.588 1.155 . . . . 0.0 113.324 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -57.2 -41.49 79.49 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.977 0.911 . . . . 0.0 112.378 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -58.89 -35.14 72.51 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.971 0.908 . . . . 0.0 113.03 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.45 -43.91 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.934 0.894 . . . . 0.0 111.054 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.29 -37.79 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.551 -0.718 . . . . 0.0 112.085 175.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -58.57 -23.51 58.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.991 1.316 . . . . 0.0 112.843 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.71 -34.83 10.76 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.617 1.567 . . . . 0.0 112.723 173.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.37 -36.71 85.04 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.138 -0.976 . . . . 0.0 113.296 176.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.7 p -61.47 -31.0 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.669 0.788 . . . . 0.0 112.513 176.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -69.17 -26.32 64.8 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.149 1.38 . . . . 0.0 112.77 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -96.47 -9.13 30.41 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.889 1.676 . . . . 0.0 112.975 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 63.6 p -126.14 4.44 7.14 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -173.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.102 1.761 . . . . 0.0 112.237 177.39 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.01 -46.27 88.43 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -174.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 78.3 p -60.59 -35.29 75.73 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.0 85.77 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.899 0.772 . . . . 0.0 112.526 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -65.81 -42.33 90.79 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.424 0.69 . . . . 0.0 110.976 174.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.22 -35.93 78.55 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 176.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.18 -31.52 72.04 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.088 0.858 . . . . 0.0 112.487 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -84.84 -12.4 53.62 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.673 1.189 . . . . 0.0 113.371 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.89 1.75 52.17 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.83 1.681 . . . . 0.0 114.253 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.07 163.48 17.89 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.929 1.291 . . . . 0.0 112.51 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -131.27 82.78 2.06 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.628 1.971 . . . . 0.0 109.937 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.16 121.95 11.95 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.632 1.573 . . . . 0.0 110.906 174.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -71.68 164.38 26.04 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.34 1.056 . . . . 0.0 112.851 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.53 -36.83 93.64 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.017 0.818 . . . . 0.0 114.115 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.46 -31.0 66.66 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.339 -1.095 . . . . 0.0 111.219 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.3 -44.7 35.75 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.768 1.227 . . . . 0.0 112.97 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -45.59 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.593 0.633 . . . . 0.0 109.315 174.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -58.11 -37.58 74.83 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.231 1.013 . . . . 0.0 113.096 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.25 -56.01 20.16 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.498 0.59 . . . . 0.0 112.342 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.273 3.8 pp -68.25 -22.9 64.74 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.4 m -59.61 -35.4 74.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.631 1.172 . . . . 0.0 111.542 173.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -77.39 -34.13 54.98 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.959 0.799 . . . . 0.0 112.545 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.52 -31.01 67.93 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -105.87 12.21 30.97 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.679 1.992 . . . . 0.0 111.663 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.34 -28.36 42.24 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.048 1.739 . . . . 0.0 114.94 -174.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 42.7 m -120.09 8.06 10.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.84 1.256 . . . . 0.0 113.339 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mm -70.39 142.51 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.198 0.999 . . . . 0.0 111.141 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 17.1 m -55.19 127.13 27.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.599 1.56 . . . . 0.0 111.787 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.02 -29.22 67.1 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -174.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.88 -32.01 51.64 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.368 1.067 . . . . 0.0 111.646 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -90.04 -6.44 55.54 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.139 2.176 . . . . 0.0 111.807 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.97 -39.67 92.95 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.597 1.159 . . . . 0.0 112.513 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.35 -39.95 77.83 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 175.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -68.21 -37.06 80.47 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.069 0.947 . . . . 0.0 112.415 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -63.89 -53.02 56.96 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.147 1.379 . . . . 0.0 111.047 174.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.79 -20.98 66.67 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.74 0.816 . . . . 0.0 112.913 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.43 -26.76 68.88 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.941 -1.099 . . . . 0.0 111.68 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.05 -40.3 87.1 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.662 -0.649 . . . . 0.0 110.631 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 48.9 mt -61.56 -50.29 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.532 1.133 . . . . 0.0 109.257 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 79.9 mt -54.01 -47.69 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.451 0.7 . . . . 0.0 111.208 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -64.37 -21.79 66.74 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.26 -15.0 21.01 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.135 1.374 . . . . 0.0 112.987 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 39.3 t -84.01 -40.23 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.67 1.588 . . . . 0.0 108.641 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.01 -23.36 66.55 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -87.68 -7.73 57.04 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -82.4 151.03 64.99 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.04 0.936 . . . . 0.0 110.641 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.42 118.92 5.54 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.308 2.006 . . . . 0.0 111.44 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.24 165.31 36.67 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.559 1.543 . . . . 0.0 112.129 176.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 51.8 m -132.83 17.71 4.22 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.774 1.63 . . . . 0.0 112.868 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 21.5 t -148.15 168.8 21.51 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.386 1.874 . . . . 0.0 110.512 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -102.5 2.77 36.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.256 1.022 . . . . 0.0 113.067 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 53.5 mmm -79.44 125.21 29.25 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.668 0.787 . . . . 0.0 110.157 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -108.88 92.99 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.866 0.867 . . . . 0.0 109.39 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.7 162.49 27.64 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.293 1.437 . . . . 0.0 113.246 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -53.89 -46.31 71.33 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.979 0.912 . . . . 0.0 112.287 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 12.4 m -62.76 -24.35 67.67 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.759 0.823 . . . . 0.0 113.064 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.94 -40.51 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.471 1.109 . . . . 0.0 110.538 173.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.45 -37.96 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.229 1.012 . . . . 0.0 111.675 174.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -59.59 -17.57 34.05 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.914 1.286 . . . . 0.0 113.914 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.23 -26.62 13.58 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.285 1.434 . . . . 0.0 112.373 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.56 -37.52 65.51 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.684 1.194 . . . . 0.0 113.365 174.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.65 -27.76 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.449 1.1 . . . . 0.0 112.862 175.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -65.82 -20.25 66.18 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.624 1.57 . . . . 0.0 113.29 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -111.35 -8.58 14.32 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.331 1.452 . . . . 0.0 112.367 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 15.1 m -101.08 -12.52 18.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.895 1.278 . . . . 0.0 114.431 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.359 1.864 . . . . 0.0 112.271 -175.879 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -40.93 98.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.66 1.184 . . . . 0.0 111.945 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 60.9 m -61.01 -34.86 75.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.387 1.075 . . . . 0.0 112.853 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.47 85.48 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.283 0.947 . . . . 0.0 112.568 175.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.99 -45.87 93.03 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.627 -0.671 . . . . 0.0 110.359 174.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.63 -42.88 79.61 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.634 1.574 . . . . 0.0 113.523 174.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 49.4 mt -64.03 -36.27 83.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.318 1.047 . . . . 0.0 113.239 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -77.67 -14.42 59.63 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.12 5.44 25.06 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.502 1.525 . . . . 0.0 115.198 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.48 166.28 11.94 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.173 1.389 . . . . 0.0 112.645 -175.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.7 mt -128.18 76.25 1.68 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.554 1.942 . . . . 0.0 110.042 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 29.1 tp -56.53 116.4 3.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.329 1.451 . . . . 0.0 111.164 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -69.08 160.96 30.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.394 1.078 . . . . 0.0 112.699 -176.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.69 -28.0 69.18 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.097 0.855 . . . . 0.0 114.423 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.95 -27.34 60.15 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.559 -0.965 . . . . 0.0 112.099 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.05 -39.1 13.13 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.161 1.384 . . . . 0.0 112.555 -176.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.01 -41.61 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.75 0.704 . . . . 0.0 110.231 173.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -65.93 -34.37 77.97 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.112 1.365 . . . . 0.0 112.764 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -65.05 -54.32 32.0 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.412 0.551 . . . . 0.0 111.897 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.285 1.9 pp -76.82 -20.33 56.49 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -31.7 72.7 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.118 1.326 . . . . 0.0 111.773 173.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.68 -35.62 52.09 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.538 -0.726 . . . . 0.0 112.095 173.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.81 -16.23 64.01 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 82.4 mt -124.43 15.85 8.94 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.83 2.052 . . . . 0.0 111.804 -176.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -56.76 -28.76 61.74 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.69 1.596 . . . . 0.0 114.399 -174.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 35.6 m -116.22 5.55 13.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.761 1.224 . . . . 0.0 113.698 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -71.21 142.95 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.422 1.089 . . . . 0.0 110.769 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 23.4 m -54.61 128.78 33.89 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.272 1.829 . . . . 0.0 112.741 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.19 -34.29 73.42 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . 0.435 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.5 pt? -80.42 -3.6 50.41 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.707 1.203 . . . . 0.0 113.554 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -119.05 -3.17 10.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.343 1.857 . . . . 0.0 112.996 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 tp -57.86 -45.66 85.96 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.389 0.995 . . . . 0.0 111.922 -174.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.84 -34.19 69.08 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.34 -39.48 78.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.563 0.745 . . . . 0.0 112.045 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -66.34 -51.74 54.17 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 111.336 174.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.47 -18.47 63.81 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.275 1.43 . . . . 0.0 113.245 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -58.78 -33.43 70.31 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.254 -0.904 . . . . 0.0 111.018 174.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.91 -38.43 91.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.678 0.791 . . . . 0.0 111.294 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.87 -52.86 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.407 1.083 . . . . 0.0 108.822 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 82.4 mt -57.07 -43.98 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.886 0.766 . . . . 0.0 110.991 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.93 -21.75 66.88 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.03 -32.34 15.94 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.397 1.079 . . . . 0.0 112.043 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.2 -39.62 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.766 1.227 . . . . 0.0 110.033 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.3 -4.0 3.38 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.729 1.612 . . . . 0.0 114.955 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.35 10.1 17.03 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.062 1.745 . . . . 0.0 113.599 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -107.28 156.15 38.16 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.691 1.596 . . . . 0.0 112.009 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.98 124.29 9.51 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.216 2.61 . . . . 0.0 111.744 175.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -158.37 166.71 31.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.989 1.716 . . . . 0.0 111.441 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -128.93 9.33 5.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.861 1.264 . . . . 0.0 113.893 -174.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 83.2 p -150.23 176.79 10.54 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.068 1.747 . . . . 0.0 111.083 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -87.9 4.63 44.03 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.565 -0.709 . . . . 0.0 112.562 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 16.3 mtp -87.38 131.86 34.15 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.474 -0.766 . . . . 0.0 110.383 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 29.1 mm -113.78 103.98 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.821 0.849 . . . . 0.0 110.528 -173.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.69 169.9 17.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.374 1.47 . . . . 0.0 113.854 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -60.5 -41.66 94.77 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.174 0.99 . . . . 0.0 112.754 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 10.6 p -65.48 -23.97 67.04 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 84.4 t -77.28 -44.52 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.99 0.916 . . . . 0.0 111.069 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.09 -28.8 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 O-C-N 120.946 -1.097 . . . . 0.0 112.829 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -59.61 -25.15 64.41 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.92 1.288 . . . . 0.0 113.403 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.39 -33.66 10.96 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.246 1.418 . . . . 0.0 112.712 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.02 -34.18 77.17 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.011 -1.055 . . . . 0.0 113.287 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.16 -30.3 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.323 -0.861 . . . . 0.0 112.699 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -66.49 -39.72 88.9 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.442 1.097 . . . . 0.0 111.568 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.98 -26.29 59.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.195 1.798 . . . . 0.0 112.372 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m -93.73 -9.46 37.61 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.255 1.348 0 C-N-CA 126.423 1.889 . . . . 0.0 113.465 -176.594 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.88 -40.52 95.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.962 0.905 . . . . 0.0 112.595 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 92.1 p -62.47 -33.6 75.15 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.72 92.6 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.878 0.871 . . . . 0.0 112.411 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -66.95 -44.03 81.64 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.538 -0.726 . . . . 0.0 110.655 173.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -57.45 -49.53 75.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.155 1.382 . . . . 0.0 113.098 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 pp -68.38 -26.88 65.78 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -79.14 -12.45 59.99 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.808 1.243 . . . . 0.0 113.171 174.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.12 5.02 35.44 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.849 1.69 . . . . 0.0 115.289 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.2 164.62 12.24 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.519 1.528 . . . . 0.0 112.893 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.2 mt -128.74 81.74 2.04 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.645 1.978 . . . . 0.0 110.283 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 25.2 tp -60.14 121.98 13.27 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.472 1.509 . . . . 0.0 111.357 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -74.97 166.86 22.99 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.502 1.121 . . . . 0.0 113.308 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.2 -22.0 74.19 Favored Glycine 0 CA--C 1.538 1.482 0 N-CA-C 115.707 1.043 . . . . 0.0 115.707 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -89.74 -30.07 18.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.325 1.562 . . . . 0.0 110.15 172.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.98 80.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.519 1.128 . . . . 0.0 111.97 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.2 tp -58.74 -43.52 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.925 0.89 . . . . 0.0 111.263 174.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -64.82 -35.25 80.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.392 1.477 . . . . 0.0 112.867 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -64.17 -51.39 64.05 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.923 0.489 . . . . 0.0 111.85 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.261 3.3 pp -79.83 -15.03 58.2 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -54.19 -52.24 61.82 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.856 1.262 . . . . 0.0 110.877 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.24 -21.98 52.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.37 -16.57 60.37 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.439 1.095 . . . . 0.0 113.566 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 98.2 mt -123.93 -2.93 8.19 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.323 1.449 . . . . 0.0 114.113 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -59.34 -30.46 68.4 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.011 -1.056 . . . . 0.0 113.499 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 75.5 p -85.99 -10.38 55.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.955 1.302 . . . . 0.0 114.446 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.95 139.02 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.895 0.878 . . . . 0.0 111.571 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -57.16 123.37 15.05 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.175 1.79 . . . . 0.0 112.225 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.7 -25.95 65.2 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 pp -84.96 -0.18 53.41 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.69 1.596 . . . . 0.0 113.221 177.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.18 -4.93 5.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.929 2.491 . . . . 0.0 112.403 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.53 -39.69 91.96 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.037 1.735 . . . . 0.0 112.192 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.48 -40.01 81.14 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.61 -37.14 84.25 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.412 -0.805 . . . . 0.0 112.355 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -65.57 -54.46 27.64 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.27 1.028 . . . . 0.0 111.78 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.26 -29.12 70.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.737 1.215 . . . . 0.0 111.751 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.92 -29.33 69.54 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.182 -0.948 . . . . 0.0 112.094 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -68.7 -36.66 78.76 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.362 -0.836 . . . . 0.0 110.947 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 37.1 mt -64.2 -50.71 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.261 1.024 . . . . 0.0 108.931 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 73.4 mt -58.55 -43.02 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.91 0.777 . . . . 0.0 110.892 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -62.53 -26.12 68.4 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.43 -30.13 25.57 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.149 0.886 . . . . 0.0 111.868 175.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.23 -39.6 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.587 1.155 . . . . 0.0 109.426 172.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -62.4 -17.16 58.48 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.179 1.392 . . . . 0.0 114.655 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -79.63 -18.11 52.27 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -89.1 145.84 35.17 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 124.333 1.053 . . . . 0.0 111.678 -174.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.67 136.65 19.34 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.353 2.036 . . . . 0.0 111.149 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.06 167.19 26.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.711 1.604 . . . . 0.0 111.844 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 42.2 m -126.29 7.26 7.1 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.934 1.294 . . . . 0.0 113.6 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 85.5 p -150.18 173.14 14.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.292 1.837 . . . . 0.0 110.809 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -89.79 7.43 37.0 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.246 -0.909 . . . . 0.0 113.321 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.9 mtp -86.48 129.57 34.81 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.385 -0.822 . . . . 0.0 110.914 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 30.7 mm -113.73 98.48 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.69 1.196 . . . . 0.0 109.979 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.5 168.31 20.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.216 1.006 . . . . 0.0 113.381 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -50.17 -48.86 53.79 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.992 0.917 . . . . 0.0 111.816 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -57.01 -30.14 63.92 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.264 1.025 . . . . 0.0 112.918 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.2 t -76.01 -45.28 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.831 1.252 . . . . 0.0 111.426 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.72 -39.01 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.991 0.917 . . . . 0.0 112.147 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.29 -21.04 61.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.543 1.937 . . . . 0.0 113.068 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.78 -32.26 11.12 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.115 1.766 . . . . 0.0 112.532 173.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.68 75.44 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.037 -1.039 . . . . 0.0 113.48 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.67 -28.82 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.28 -0.888 . . . . 0.0 112.701 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -68.45 -20.41 64.63 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.624 1.57 . . . . 0.0 113.038 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -108.33 -8.59 15.62 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.369 1.868 . . . . 0.0 113.021 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 68.4 p -126.84 2.69 6.66 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -173.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.113 1.765 . . . . 0.0 112.457 176.263 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.94 -44.4 96.84 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 78.4 p -60.09 -34.38 73.39 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.33 76.72 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.151 0.887 . . . . 0.0 112.028 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.48 -43.64 98.51 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.343 0.519 . . . . 0.0 110.94 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -60.32 -40.44 90.63 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.79 1.236 . . . . 0.0 113.395 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.26 -36.06 82.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.234 1.014 . . . . 0.0 112.728 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -80.33 -13.93 58.78 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 175.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.16 9.82 29.0 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.675 1.607 . . . . 0.0 115.563 174.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.26 164.84 12.49 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.284 1.434 . . . . 0.0 113.159 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -127.56 76.28 1.66 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.995 2.118 . . . . 0.0 109.797 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.16 120.32 8.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.536 1.535 . . . . 0.0 111.814 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -72.78 165.42 24.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.775 1.23 . . . . 0.0 113.019 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.87 -35.0 91.39 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.085 0.85 . . . . 0.0 114.774 -177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.27 -32.36 62.89 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.818 1.309 . . . . 0.0 111.246 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.41 -43.3 60.75 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.23 1.012 . . . . 0.0 113.009 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -44.13 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.62 0.645 . . . . 0.0 109.551 174.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -59.99 -42.8 95.02 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.636 1.174 . . . . 0.0 111.892 174.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . 0.453 ' HH ' HG13 ' M' ' 95' ' ' VAL . 75.4 t80 -58.67 -52.59 65.03 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.625 0.77 . . . . 0.0 111.873 178.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.267 3.0 pp -72.85 -24.04 60.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 177.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -64.44 -41.08 96.77 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.097 0.959 . . . . 0.0 111.297 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -67.53 -35.12 78.48 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.569 -0.707 . . . . 0.0 112.452 174.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.29 71.72 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.949 0.9 . . . . 0.0 113.221 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.23 5.7 50.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.652 1.581 . . . . 0.0 112.945 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -52.61 -31.39 36.22 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.485 1.514 . . . . 0.0 113.723 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 32.9 m -110.62 3.92 19.76 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.801 1.24 . . . . 0.0 113.645 -177.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -75.06 141.8 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.214 1.006 . . . . 0.0 110.649 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 24.6 m -55.48 126.61 25.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.101 1.76 . . . . 0.0 112.3 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.74 -37.19 75.65 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . 0.414 ' H ' HD22 ' M' ' 63' ' ' LEU . 2.5 pt? -77.25 -5.0 47.69 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.936 1.295 . . . . 0.0 113.98 176.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -117.3 0.07 12.15 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.873 2.069 . . . . 0.0 112.228 176.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 43.6 tp -61.66 -41.33 97.4 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.275 1.43 . . . . 0.0 111.818 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.78 -45.24 68.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.368 0.667 . . . . 0.0 111.775 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.61 -34.45 77.04 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.479 -0.763 . . . . 0.0 112.377 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -68.2 -56.4 8.85 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.966 1.306 . . . . 0.0 110.412 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.67 -24.48 67.8 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.8 0.84 . . . . 0.0 113.175 -176.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.02 -34.0 72.77 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.417 -0.802 . . . . 0.0 111.219 174.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -71.01 -33.5 70.42 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.914 0.886 . . . . 0.0 111.224 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 44.0 mt -63.88 -51.39 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.23 -42.39 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.123 0.569 . . . . 0.0 110.959 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.23 -24.21 67.77 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 175.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.66 -26.75 21.7 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.417 1.087 . . . . 0.0 112.343 174.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.14 -41.1 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.882 1.273 . . . . 0.0 109.512 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -65.03 -6.16 8.06 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.289 1.836 . . . . 0.0 115.873 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -117.45 4.02 12.48 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -87.19 154.82 54.85 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.754 1.222 . . . . 0.0 111.37 174.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.18 129.02 12.67 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.665 2.243 . . . . 0.0 111.707 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.75 168.84 24.96 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.099 1.759 . . . . 0.0 111.802 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.1 p -126.31 3.39 7.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.563 1.545 . . . . 0.0 114.208 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 75.8 p -148.81 176.9 10.0 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.327 1.851 . . . . 0.0 111.159 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -90.91 7.46 39.99 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.594 -0.691 . . . . 0.0 112.593 176.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 12.5 mtp -86.49 129.55 34.82 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 121.496 -0.753 . . . . 0.0 110.378 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 32.1 mm -112.86 101.39 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.855 0.862 . . . . 0.0 110.465 -173.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -78.88 170.49 16.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.94 1.296 . . . . 0.0 113.568 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -51.79 -49.0 63.56 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.111 0.964 . . . . 0.0 111.617 175.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -58.3 -26.2 62.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.671 0.788 . . . . 0.0 112.877 -176.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 67.1 t -79.47 -46.63 22.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.511 1.124 . . . . 0.0 111.852 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 18.6 m -68.39 -30.04 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 121.045 -1.034 . . . . 0.0 113.535 174.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -62.47 -21.45 65.47 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.766 1.626 . . . . 0.0 113.046 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.59 -32.06 9.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.632 1.573 . . . . 0.0 112.274 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.22 82.75 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.159 -0.963 . . . . 0.0 113.228 175.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . 0.453 HG13 ' HH ' ' M' ' 52' ' ' TYR . 7.8 p -60.55 -33.17 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.649 -0.657 . . . . 0.0 112.488 176.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -71.78 -24.3 61.72 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.787 1.635 . . . . 0.0 112.547 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -93.09 -9.25 40.25 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.807 1.643 . . . . 0.0 113.012 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 68.2 p -126.34 7.98 7.12 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -173.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.244 1.818 . . . . 0.0 112.744 178.282 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -44.31 97.45 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.886 -0.509 . . . . 0.0 111.444 174.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 33.7 p -64.34 -33.16 75.2 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.96 96.52 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.033 0.933 . . . . 0.0 112.0 174.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.75 -45.02 91.73 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.805 -0.559 . . . . 0.0 110.573 173.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.48 -47.89 84.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.73 -26.06 65.96 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.106 0.867 . . . . 0.0 113.32 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 74.8 mmt-85 -77.43 -12.3 59.94 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.898 1.279 . . . . 0.0 113.036 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.69 4.89 26.25 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.633 1.587 . . . . 0.0 115.67 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -100.8 169.91 8.68 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.205 1.402 . . . . 0.0 112.842 -174.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 97.0 mt -129.62 78.01 1.82 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.076 1.75 . . . . 0.0 109.721 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.4 tp -56.57 117.34 3.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.116 1.366 . . . . 0.0 111.47 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -70.87 161.61 30.71 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.526 1.13 . . . . 0.0 112.241 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.38 -29.55 73.62 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 123.863 0.744 . . . . 0.0 113.923 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -22.9 60.84 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.413 -1.051 . . . . 0.0 112.908 174.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.35 -38.59 10.91 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.067 1.347 . . . . 0.0 112.691 -178.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.3 tp -60.82 -39.88 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.267 -0.895 . . . . 0.0 111.429 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -69.28 -21.19 63.9 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . 0.491 ' HH ' HG13 ' M' ' 95' ' ' VAL . 72.6 t80 -76.12 -55.52 5.51 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.81 0.844 . . . . 0.0 110.695 174.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 pp -78.52 -19.47 52.87 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 6.4 t -61.27 -35.91 78.59 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.584 1.084 . . . . 0.0 111.916 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.81 -35.44 51.34 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.112 -0.993 . . . . 0.0 112.239 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.33 -17.46 64.78 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.1 mt -107.56 -4.9 17.9 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.601 1.561 . . . . 0.0 113.072 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.42 -29.72 69.17 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.24 1.016 . . . . 0.0 112.22 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 76.8 p -81.51 3.85 23.35 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.641 1.576 . . . . 0.0 114.43 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mm -116.49 144.07 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.924 1.69 . . . . 0.0 111.208 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 42.4 m -54.82 127.33 28.03 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.348 1.859 . . . . 0.0 112.112 174.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.29 -30.24 68.18 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . 0.454 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.1 pt? -83.21 -2.06 54.61 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.097 1.359 . . . . 0.0 114.438 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.41 2.99 11.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.469 1.907 . . . . 0.0 111.96 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -56.78 -44.38 81.81 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.619 1.968 . . . . 0.0 112.483 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -68.0 -45.28 74.52 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.977 0.511 . . . . 0.0 112.052 -176.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -64.84 -34.22 77.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.44 0.696 . . . . 0.0 112.305 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -68.49 -54.34 17.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.073 0.949 . . . . 0.0 111.464 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.56 -25.16 67.13 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.174 1.39 . . . . 0.0 113.073 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.44 -33.13 70.89 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.666 0.787 . . . . 0.0 111.314 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -73.71 -32.51 63.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.465 1.106 . . . . 0.0 111.604 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.9 -52.22 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.01 -42.0 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.613 -0.68 . . . . 0.0 111.108 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -61.42 -26.51 67.91 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.61 -33.11 23.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.561 0.744 . . . . 0.0 111.911 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 67.4 t -64.0 -41.97 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.648 1.179 . . . . 0.0 110.559 173.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.01 -6.52 8.82 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.98 1.712 . . . . 0.0 115.541 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -120.73 2.86 10.63 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -79.65 154.94 76.16 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 123.603 0.761 . . . . 0.0 109.866 173.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.44 113.92 3.91 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.353 2.035 . . . . 0.0 111.805 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.71 166.65 32.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.752 1.621 . . . . 0.0 111.966 176.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -131.14 17.1 5.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.366 1.466 . . . . 0.0 112.829 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 20.5 t -149.31 170.99 17.24 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.38 1.872 . . . . 0.0 110.401 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -99.93 2.24 43.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.872 0.869 . . . . 0.0 112.937 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.8 mtp -80.74 131.96 35.49 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.385 -0.822 . . . . 0.0 110.443 176.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.6 mm -114.71 104.15 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.922 0.889 . . . . 0.0 110.754 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -79.84 170.08 17.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.737 1.615 . . . . 0.0 113.737 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -53.55 -49.7 67.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.628 0.771 . . . . 0.0 112.06 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 15.2 m -59.02 -24.97 63.27 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.969 0.908 . . . . 0.0 113.193 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.67 -45.88 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.274 1.03 . . . . 0.0 112.043 175.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 23.9 m -69.51 -32.54 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 CA-C-N 119.796 1.18 . . . . 0.0 112.975 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.1 -21.9 66.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.947 1.699 . . . . 0.0 112.888 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.13 -31.07 11.23 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.61 1.564 . . . . 0.0 113.041 174.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.67 87.72 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.288 -0.882 . . . . 0.0 113.221 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . 0.491 HG13 ' HH ' ' M' ' 52' ' ' TYR . 9.6 p -58.98 -26.93 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 178.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -66.28 -12.06 54.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.293 1.837 . . . . 0.0 113.454 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -117.64 -22.65 7.97 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.118 1.367 . . . . 0.0 113.255 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 98.5 p -80.0 -16.31 55.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.899 1.68 . . . . 0.0 112.315 -174.215 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.3 -36.93 74.07 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.53 1.132 . . . . 0.0 112.693 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 54.2 p -57.95 -34.83 70.34 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.66 69.13 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.41 -0.806 . . . . 0.0 112.217 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -64.66 -40.85 96.14 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.318 0.647 . . . . 0.0 110.744 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -60.02 -44.55 94.54 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.119 1.368 . . . . 0.0 112.42 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 43.1 mt -60.59 -36.46 78.6 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.133 0.973 . . . . 0.0 113.061 176.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -79.92 -7.12 58.58 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 175.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.45 11.97 57.68 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.211 1.386 . . . . 0.0 114.825 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.96 160.48 23.33 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.55 1.175 . . . . 0.0 111.901 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 98.0 mt -124.33 50.58 1.67 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.209 2.204 . . . . 0.0 109.758 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 50.3 tp -47.39 120.98 3.53 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.399 1.88 . . . . 0.0 112.219 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -60.95 156.08 18.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.984 1.314 . . . . 0.0 112.918 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.86 -26.43 72.2 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.208 0.909 . . . . 0.0 114.725 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -75.67 -33.46 60.41 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.278 1.039 . . . . 0.0 110.889 173.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.01 -41.54 35.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.843 1.257 . . . . 0.0 112.462 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 11.2 tp -63.36 -39.1 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-O 121.198 0.523 . . . . 0.0 111.081 174.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.27 -42.28 99.1 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.154 1.382 . . . . 0.0 111.473 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -58.13 -49.98 75.1 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.395 0.543 . . . . 0.0 111.971 176.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.27 2.9 pp -74.14 -20.31 60.27 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -34.89 79.32 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 120.665 1.575 . . . . 0.0 111.607 174.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.21 -33.55 70.02 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.586 -0.696 . . . . 0.0 112.008 174.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.83 -10.67 60.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.438 1.095 . . . . 0.0 113.67 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.5 mt -125.36 13.27 8.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.869 2.068 . . . . 0.0 112.211 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -53.53 -25.71 18.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.732 2.013 . . . . 0.0 115.192 -174.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -124.96 10.64 8.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.653 1.181 . . . . 0.0 113.243 -177.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mm -72.26 141.05 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.69 0.796 . . . . 0.0 111.02 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 10.4 m -56.01 130.46 43.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.898 1.679 . . . . 0.0 112.629 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.68 -31.32 62.3 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -174.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 pp -96.94 -7.05 34.17 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.515 1.126 . . . . 0.0 113.393 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -101.26 -12.97 18.28 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.449 1.5 . . . . 0.0 112.397 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 tp -54.39 -43.81 71.74 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.271 1.828 . . . . 0.0 112.181 -174.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -71.91 -25.69 62.01 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -85.82 -36.74 19.85 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.542 1.137 . . . . 0.0 111.433 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -63.2 -54.41 37.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.031 1.332 . . . . 0.0 111.286 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.85 -22.88 66.57 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.635 0.774 . . . . 0.0 112.925 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.61 -28.41 69.34 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.172 -0.955 . . . . 0.0 111.207 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.48 -37.19 79.91 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.543 -0.723 . . . . 0.0 111.1 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.59 -51.55 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.128 0.971 . . . . 0.0 108.754 174.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.77 -46.76 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.97 0.908 . . . . 0.0 110.848 177.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -63.32 -28.0 69.71 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 176.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.95 -25.73 34.59 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.282 0.946 . . . . 0.0 112.335 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.99 -38.9 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.377 -0.827 . . . . 0.0 109.462 172.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.64 -28.57 70.0 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -73.52 -15.54 61.3 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -89.01 129.1 49.47 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.345 1.058 . . . . 0.0 110.26 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.66 129.16 33.51 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.925 2.417 . . . . 0.0 112.541 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 pp -153.92 168.15 27.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.229 1.412 . . . . 0.0 112.504 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 80.4 p -139.47 9.8 2.47 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.313 1.445 . . . . 0.0 113.847 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 44.5 m -157.05 163.45 39.02 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.003 1.721 . . . . 0.0 111.098 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -93.33 4.92 53.19 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.62 1.168 . . . . 0.0 113.639 -175.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 10.3 ttm -90.1 82.58 6.07 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.643 1.177 . . . . 0.0 111.303 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 23.0 mm -68.22 138.75 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.442 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -122.91 166.47 14.98 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.484 1.113 . . . . 0.0 112.666 -174.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -57.8 -40.64 80.41 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.519 -0.738 . . . . 0.0 112.182 -174.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 21.8 t -59.16 -34.93 72.69 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 85.8 t -73.38 -43.99 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.925 0.89 . . . . 0.0 111.063 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.36 -39.82 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 121.546 -0.721 . . . . 0.0 112.042 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -59.0 -15.94 15.72 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.464 1.506 . . . . 0.0 114.096 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.2 -33.51 9.16 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.558 1.543 . . . . 0.0 111.81 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.62 87.23 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.429 1.091 . . . . 0.0 113.142 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.17 -29.11 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.542 1.137 . . . . 0.0 112.78 175.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -70.92 -21.35 62.37 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.881 1.272 . . . . 0.0 112.973 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -105.69 -8.14 18.05 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.097 1.359 . . . . 0.0 112.805 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 62.8 p -122.41 2.27 9.65 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -174.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.549 1.939 . . . . 0.0 112.363 176.85 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 11.1 tpt . . . . . 0 CA--C 1.545 0.777 0 CA-C-O 121.165 0.507 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.15 165.59 17.93 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 126.067 1.747 . . . . 0.0 111.01 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -46.59 -39.36 22.86 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 124.337 3.358 . . . . 0.0 115.895 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.98 -19.84 65.45 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -100.85 -36.8 8.94 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.405 1.482 . . . . 0.0 110.744 174.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.33 -48.22 74.5 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.297 1.839 . . . . 0.0 111.602 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.04 -49.27 66.65 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.934 1.293 . . . . 0.0 112.351 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 50.6 m -63.79 -42.4 97.74 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 49.7 mmm-85 -61.35 -46.98 87.95 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.078 0.951 . . . . 0.0 111.211 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.89 74.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.809 1.244 . . . . 0.0 113.184 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.74 -43.64 97.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.438 0.563 . . . . 0.0 110.63 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 48.6 m -59.45 -36.93 76.86 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.39 96.59 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -69.54 -41.83 75.42 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.434 0.694 . . . . 0.0 111.168 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.91 -37.98 84.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.96 -24.93 66.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.53 1.132 . . . . 0.0 113.388 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -97.36 -1.37 44.65 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.553 1.541 . . . . 0.0 113.794 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.57 1.07 74.89 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 125.19 1.376 . . . . 0.0 114.752 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -85.13 167.98 15.24 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 122.889 1.328 . . . . 0.0 111.621 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.94 158.43 40.26 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 128.075 2.55 . . . . 0.0 106.975 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 33.5 tp -137.71 125.87 23.03 Favored 'General case' 0 C--O 1.238 0.466 0 O-C-N 121.673 -0.642 . . . . 0.0 111.974 -173.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -57.08 156.57 6.91 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.909 1.684 . . . . 0.0 113.82 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.1 -33.63 85.93 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 123.853 0.739 . . . . 0.0 114.318 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -73.23 -28.23 62.04 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.189 -1.183 . . . . 0.0 111.852 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.95 -43.08 20.27 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.541 1.136 . . . . 0.0 112.861 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 tp -58.8 -44.91 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.496 0.718 . . . . 0.0 110.359 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.76 -43.86 94.1 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.324 1.45 . . . . 0.0 112.028 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -58.32 -53.67 55.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.285 0.634 . . . . 0.0 111.597 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.277 4.0 pp -74.37 -24.2 59.12 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 178.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -63.2 -40.7 98.25 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.447 -0.783 . . . . 0.0 110.256 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.99 -37.05 67.16 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.557 -0.714 . . . . 0.0 112.296 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.49 65.39 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -110.49 7.47 22.67 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.155 1.782 . . . . 0.0 112.66 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -51.61 -30.0 19.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.129 1.772 . . . . 0.0 115.162 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 45.8 m -116.87 6.32 13.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.767 1.227 . . . . 0.0 113.58 -176.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.09 142.96 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.982 0.913 . . . . 0.0 110.633 174.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 22.5 m -52.9 129.46 30.32 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.009 1.723 . . . . 0.0 112.901 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.72 -32.69 67.66 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . 0.415 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.6 pt? -88.03 -4.24 58.81 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.887 1.275 . . . . 0.0 113.754 177.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -114.12 -6.91 13.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.184 1.794 . . . . 0.0 112.567 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 64.5 tp -57.6 -41.95 82.26 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.837 1.655 . . . . 0.0 111.887 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.31 -46.03 71.38 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.303 0.641 . . . . 0.0 111.871 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.38 -34.53 78.54 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.183 0.993 . . . . 0.0 112.868 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -68.82 -53.93 18.7 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.02 1.328 . . . . 0.0 112.202 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.97 -26.2 67.38 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.907 1.283 . . . . 0.0 111.878 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.38 -26.82 68.68 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.075 -1.016 . . . . 0.0 112.318 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.97 -29.41 64.21 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.496 -0.753 . . . . 0.0 111.79 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 52.3 mt -69.13 -50.82 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.16 -43.51 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.361 0.664 . . . . 0.0 111.502 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -60.62 -25.17 66.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.7 -40.84 18.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.91 0.777 . . . . 0.0 111.387 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.85 -40.09 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.891 0.876 . . . . 0.0 111.136 173.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.0 -7.64 5.71 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -125.97 10.64 7.62 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.497 1.519 . . . . 0.0 114.033 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -99.23 154.56 37.24 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 125.392 1.477 . . . . 0.0 111.678 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.28 126.07 11.96 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.007 2.471 . . . . 0.0 111.594 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.03 167.62 29.82 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.254 1.821 . . . . 0.0 112.0 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 80.1 p -138.72 8.05 2.55 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.044 1.338 . . . . 0.0 114.179 -174.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.6 t -153.28 159.74 42.6 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.312 1.845 . . . . 0.0 110.559 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -77.83 -5.25 50.24 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.489 -0.757 . . . . 0.0 112.181 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 52.1 tpp -83.13 104.19 13.12 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.869 1.267 . . . . 0.0 110.749 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mm -80.32 143.04 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 125.316 1.446 . . . . 0.0 110.243 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -126.12 165.95 17.93 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.455 1.502 . . . . 0.0 113.226 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -54.93 -44.68 74.48 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.426 -0.796 . . . . 0.0 111.872 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 17.9 t -57.48 -33.81 68.38 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.445 0.698 . . . . 0.0 112.803 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.77 -46.71 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.883 0.873 . . . . 0.0 111.018 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.7 -38.44 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.024 0.93 . . . . 0.0 112.659 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -60.15 -21.5 61.71 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.121 1.769 . . . . 0.0 113.307 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.91 -32.75 10.06 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.91 1.684 . . . . 0.0 112.5 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.88 80.02 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.1 0.96 . . . . 0.0 113.506 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.64 -30.87 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.895 0.878 . . . . 0.0 112.746 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -62.88 -33.41 75.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.601 1.161 . . . . 0.0 112.36 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -78.43 -32.39 48.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.272 1.029 . . . . 0.0 112.133 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 24.1 p -73.54 -22.29 60.14 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.97 2.108 . . . . 0.0 113.539 -174.302 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 88.0 mmm . . . . . 0 N--CA 1.467 0.418 0 CA-C-O 122.224 1.012 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.57 162.29 27.81 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 127.122 2.169 . . . . 0.0 109.748 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.31 -41.07 52.02 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 123.819 3.013 . . . . 0.0 114.436 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.09 -41.52 97.26 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.506 -0.746 . . . . 0.0 112.649 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.29 -36.93 82.55 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.201 1.0 . . . . 0.0 112.123 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 tp -70.55 -45.62 65.11 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.034 1.733 . . . . 0.0 111.603 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -71.32 -26.89 63.04 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.862 1.265 . . . . 0.0 113.934 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 50.1 m -78.05 33.99 0.19 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.279 1.431 . . . . 0.0 114.343 -177.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -45.22 -50.69 11.42 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.299 1.84 . . . . 0.0 113.66 -174.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.81 -53.46 8.45 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.828 0.851 . . . . 0.0 112.967 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.09 -44.93 87.27 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.732 0.413 . . . . 0.0 111.975 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -60.1 -37.26 79.45 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.42 0.688 . . . . 0.0 112.26 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.65 98.64 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.337 -0.852 . . . . 0.0 112.327 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -67.15 -42.36 84.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.289 0.636 . . . . 0.0 111.168 173.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.62 -38.79 85.88 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.507 1.123 . . . . 0.0 113.648 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 56.5 mt -60.69 -30.65 70.07 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.467 1.107 . . . . 0.0 112.59 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -87.15 -7.29 58.14 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.91 1.284 . . . . 0.0 113.452 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.3 -0.26 59.99 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.953 1.74 . . . . 0.0 114.584 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.79 165.44 16.01 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.2 1.4 . . . . 0.0 112.13 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 88.7 mt -131.93 94.56 3.51 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.984 1.714 . . . . 0.0 109.404 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.43 121.63 13.15 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.074 0.95 . . . . 0.0 110.875 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -63.93 159.98 18.67 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.074 1.35 . . . . 0.0 113.62 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.49 -31.88 81.63 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 123.896 0.76 . . . . 0.0 114.034 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -75.55 -22.7 56.83 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.065 -1.256 . . . . 0.0 112.043 172.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.72 -41.09 12.78 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.147 1.379 . . . . 0.0 113.05 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 tp -55.68 -43.67 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 123.832 0.853 . . . . 0.0 110.852 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -61.57 -43.8 98.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.254 1.422 . . . . 0.0 112.192 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -60.38 -52.56 64.74 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.403 0.681 . . . . 0.0 111.97 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.284 3.4 pp -73.43 -23.37 60.12 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -62.61 -39.18 92.95 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.158 0.89 . . . . 0.0 110.525 173.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -74.25 -36.26 63.86 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.422 0.689 . . . . 0.0 112.511 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.02 -19.09 64.11 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 62.2 mt -120.26 14.26 12.09 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.597 1.959 . . . . 0.0 111.781 -175.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -61.29 -16.41 45.43 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 74.5 p -116.71 -0.81 12.25 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.942 1.697 . . . . 0.0 113.7 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mm -74.33 141.21 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.377 1.071 . . . . 0.0 111.05 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m -56.4 127.79 32.79 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.936 1.695 . . . . 0.0 112.845 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.4 -24.88 58.11 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -174.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . 0.428 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.6 pt? -98.53 -10.32 23.66 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.546 1.138 . . . . 0.0 113.629 177.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -97.86 -17.99 18.97 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.596 1.558 . . . . 0.0 111.714 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 58.5 tp -53.89 -37.67 63.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.654 1.982 . . . . 0.0 112.777 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -68.22 -27.22 66.18 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -92.16 -36.0 13.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.165 1.386 . . . . 0.0 111.933 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -61.41 -50.24 73.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.41 1.084 . . . . 0.0 111.345 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.01 -20.98 66.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.392 1.077 . . . . 0.0 112.752 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.13 -24.97 67.89 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 120.954 -1.092 . . . . 0.0 111.905 175.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -72.06 -32.34 66.99 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.204 -0.935 . . . . 0.0 111.467 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.78 -50.84 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 84.8 mt -53.1 -48.52 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.798 0.839 . . . . 0.0 111.193 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -61.85 -26.13 67.94 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.48 -31.59 26.44 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.863 0.865 . . . . 0.0 112.301 174.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.66 -38.79 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.703 1.201 . . . . 0.0 110.45 173.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -58.98 -12.7 4.9 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -116.99 3.89 12.8 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -87.27 152.61 52.96 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.928 0.891 . . . . 0.0 110.815 173.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.41 125.49 10.21 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.501 2.134 . . . . 0.0 111.436 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 pp -155.61 168.18 28.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.636 1.574 . . . . 0.0 112.093 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -137.28 14.72 3.01 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.31 1.444 . . . . 0.0 112.932 -175.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -150.32 158.62 44.36 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.416 1.886 . . . . 0.0 110.55 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -80.14 -3.57 49.39 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 1.3 mmt -73.44 128.49 35.65 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.543 -0.723 . . . . 0.0 110.019 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 mm -109.09 99.38 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.857 0.863 . . . . 0.0 109.503 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.87 164.22 26.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.414 1.485 . . . . 0.0 113.988 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.42 -47.16 66.5 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.903 1.281 . . . . 0.0 111.99 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 19.4 m -64.88 -26.19 68.22 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.47 1.108 . . . . 0.0 113.575 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.26 -41.75 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.172 0.989 . . . . 0.0 110.148 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.96 -35.85 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 121.432 -0.793 . . . . 0.0 111.731 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -56.76 -25.95 56.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.981 1.312 . . . . 0.0 113.343 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.64 -30.71 12.68 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.294 1.438 . . . . 0.0 113.15 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.4 81.74 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.156 -0.965 . . . . 0.0 113.196 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.97 -27.82 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.09 -1.006 . . . . 0.0 113.151 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -67.55 -20.68 65.44 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.521 1.529 . . . . 0.0 112.706 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -100.45 -35.36 9.58 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.025 1.73 . . . . 0.0 111.263 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 28.2 p -72.44 -15.95 61.82 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.757 1.623 . . . . 0.0 113.195 -172.855 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 4.8 ttp . . . . . 0 CA--C 1.544 0.72 0 CA-C-O 121.107 0.48 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.46 157.25 59.7 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 126.166 1.786 . . . . 0.0 110.379 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -62.41 -29.67 79.47 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.467 2.112 . . . . 0.0 111.966 174.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -52.44 -22.35 4.65 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.355 1.862 . . . . 0.0 113.829 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -59.01 -32.54 69.81 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.745 1.618 . . . . 0.0 113.473 174.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 pp -136.48 -10.62 1.89 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.674 1.59 . . . . 0.0 115.261 -174.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -46.74 -42.37 16.65 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.996 1.718 . . . . 0.0 114.381 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 19.5 m -55.69 -22.44 23.27 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -56.51 -41.22 76.33 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 120.104 1.32 . . . . 0.0 112.383 174.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.81 72.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.664 0.786 . . . . 0.0 112.331 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -42.74 99.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.928 0.891 . . . . 0.0 111.699 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -58.45 -40.34 82.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.663 1.185 . . . . 0.0 112.637 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.33 98.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.497 0.719 . . . . 0.0 112.853 175.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -70.05 -41.1 74.64 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.204 -0.935 . . . . 0.0 111.229 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -57.26 -49.92 74.52 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.384 1.474 . . . . 0.0 112.226 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.7 -26.41 65.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -71.76 -32.62 67.88 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.768 1.227 . . . . 0.0 112.298 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.02 4.42 6.02 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.237 1.875 . . . . 0.0 114.887 176.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -99.55 167.0 10.88 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.631 1.572 . . . . 0.0 112.175 -174.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.57 83.1 2.11 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.033 1.733 . . . . 0.0 109.166 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.37 115.82 3.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.277 1.031 . . . . 0.0 110.736 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -64.25 162.2 15.13 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.739 1.616 . . . . 0.0 113.303 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.85 -43.01 99.79 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 123.814 0.721 . . . . 0.0 113.427 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 23.6 pm0 -65.86 -24.25 66.83 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.47 -1.017 . . . . 0.0 113.144 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.36 -44.16 10.4 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.656 1.182 . . . . 0.0 112.698 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -43.32 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.615 0.766 . . . . 0.0 109.765 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -58.93 -44.19 91.29 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.811 1.644 . . . . 0.0 111.777 174.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.56 -53.2 60.38 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 122.973 0.509 . . . . 0.0 112.013 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.297 3.1 pp -71.67 -21.17 61.84 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 177.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.8 m -63.97 -39.11 93.39 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.019 0.928 . . . . 0.0 109.902 172.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -75.4 -35.54 61.0 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.577 -0.702 . . . . 0.0 112.045 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.12 -19.67 65.65 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -115.7 12.36 15.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.851 1.66 . . . . 0.0 112.906 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -60.87 -18.0 53.64 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 24.4 m -109.53 12.25 24.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.248 1.819 . . . . 0.0 113.033 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.21 142.68 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.262 1.425 . . . . 0.0 110.622 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 39.6 m -53.41 129.22 31.39 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.644 1.978 . . . . 0.0 112.869 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.09 -32.83 68.45 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . 0.414 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.3 pt? -85.02 -4.19 59.06 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.726 1.21 . . . . 0.0 114.197 176.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -114.93 -14.79 11.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.403 1.481 . . . . 0.0 112.74 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.0 -43.04 63.46 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.625 1.57 . . . . 0.0 111.937 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -69.56 -26.26 64.4 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -88.27 -37.68 15.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.546 1.138 . . . . 0.0 111.815 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -60.79 -49.43 77.53 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.831 1.252 . . . . 0.0 111.221 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.86 -19.44 64.14 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.069 1.347 . . . . 0.0 113.242 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.88 -28.29 69.4 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.07 -1.019 . . . . 0.0 111.645 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -71.92 -34.34 68.99 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.936 0.895 . . . . 0.0 111.632 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 61.0 mt -64.66 -50.89 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 173.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -52.59 -50.14 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.163 0.985 . . . . 0.0 111.214 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -63.48 -23.49 67.42 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.79 -26.44 25.77 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.359 0.981 . . . . 0.0 112.486 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.42 -39.5 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.964 1.306 . . . . 0.0 109.892 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -62.59 -8.41 6.39 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.55 6.63 12.53 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -91.18 155.11 44.86 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.602 1.161 . . . . 0.0 111.42 174.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.16 133.45 17.95 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.801 2.334 . . . . 0.0 111.304 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.34 167.23 27.88 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.21 1.804 . . . . 0.0 111.847 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 34.4 m -124.62 2.14 8.25 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.848 1.259 . . . . 0.0 114.079 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 93.8 p -152.85 175.18 13.18 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.003 1.721 . . . . 0.0 110.706 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -85.44 6.58 26.1 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.324 -0.86 . . . . 0.0 113.188 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -75.64 131.98 40.3 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.37 -0.831 . . . . 0.0 110.03 174.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.4 mm -113.76 98.38 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 123.956 0.903 . . . . 0.0 108.671 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.78 168.76 19.52 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.593 1.157 . . . . 0.0 113.886 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -51.0 -49.9 59.51 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.127 0.971 . . . . 0.0 111.459 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -58.56 -30.74 67.37 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.031 0.932 . . . . 0.0 112.873 -175.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.15 -43.65 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.658 1.183 . . . . 0.0 111.159 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -67.87 -37.81 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 121.276 -0.89 . . . . 0.0 112.112 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.27 -20.46 59.13 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.293 1.837 . . . . 0.0 113.127 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.12 -33.8 10.31 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.152 1.781 . . . . 0.0 112.334 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.49 82.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.104 0.962 . . . . 0.0 113.318 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.2 -30.7 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.554 1.141 . . . . 0.0 112.543 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -65.26 -32.98 74.92 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.392 1.077 . . . . 0.0 111.784 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -87.37 -15.43 37.88 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.689 1.996 . . . . 0.0 113.5 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 57.7 p -125.8 -5.94 6.86 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.008 1.723 . . . . 0.0 113.606 174.718 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.96 155.03 69.02 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 124.828 1.251 . . . . 0.0 112.615 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -47.75 -30.68 13.34 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 125.03 3.82 . . . . 0.0 116.308 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.08 -23.37 62.0 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.808 -1.183 . . . . 0.0 113.42 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -79.8 -13.63 59.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 pp -118.38 -11.22 10.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.37 1.468 . . . . 0.0 114.159 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -53.45 -53.71 47.46 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.798 1.639 . . . . 0.0 112.293 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 16.0 m -66.82 -30.01 70.08 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.65 -44.95 73.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.211 1.004 . . . . 0.0 111.519 175.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.15 97.85 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.74 1.216 . . . . 0.0 112.131 174.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.07 -44.15 96.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.884 0.874 . . . . 0.0 111.936 174.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 70.7 m -60.35 -35.46 75.72 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.111 0.965 . . . . 0.0 112.799 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.92 95.75 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.996 -1.065 . . . . 0.0 112.697 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -62.4 -45.68 92.04 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.541 -0.724 . . . . 0.0 110.278 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -57.14 -41.92 80.02 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.327 1.451 . . . . 0.0 113.162 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 57.0 mt -64.77 -35.05 79.84 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.466 1.106 . . . . 0.0 113.27 175.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -77.16 -12.72 59.98 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.87 5.72 30.86 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.978 1.752 . . . . 0.0 114.841 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.91 166.29 12.8 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 112.443 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 90.7 mt -124.98 81.54 1.97 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.586 1.954 . . . . 0.0 109.339 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 tp -61.63 115.75 4.19 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.394 1.078 . . . . 0.0 110.8 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -60.39 157.19 14.32 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.296 1.438 . . . . 0.0 112.476 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.41 -30.09 75.26 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 123.425 0.536 . . . . 0.0 113.694 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.2 -21.1 59.96 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.291 -1.123 . . . . 0.0 113.079 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.45 -37.29 10.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.934 1.293 . . . . 0.0 112.448 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 tp -61.03 -39.78 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 121.36 -0.838 . . . . 0.0 111.372 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.78 -20.77 63.46 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -74.49 -52.46 11.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.66 0.784 . . . . 0.0 110.954 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.25 2.1 pp -84.86 -16.37 41.48 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -175.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 5.7 t -66.08 -34.31 77.78 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.013 1.278 . . . . 0.0 110.862 173.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -69.73 -34.07 73.34 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.992 -1.068 . . . . 0.0 111.539 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.34 -14.69 63.17 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.286 1.034 . . . . 0.0 113.005 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 94.8 mt -105.78 -2.08 23.59 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.148 1.779 . . . . 0.0 113.331 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -55.22 -26.54 40.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.041 1.336 . . . . 0.0 113.926 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 38.9 m -115.82 22.98 12.63 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.571 1.549 . . . . 0.0 112.48 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mm -116.29 144.28 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.87 1.668 . . . . 0.0 110.689 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 30.4 m -52.72 134.96 36.05 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.028 2.131 . . . . 0.0 113.542 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.51 -16.28 45.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -108.51 4.71 24.48 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.282 1.433 . . . . 0.0 113.447 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -126.51 -4.72 6.57 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.531 1.532 . . . . 0.0 113.257 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 pp -58.95 -36.22 74.43 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.016 0.926 . . . . 0.0 112.629 -174.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.6 -45.12 63.08 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.228 0.611 . . . . 0.0 111.338 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.74 -36.83 84.31 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.809 0.843 . . . . 0.0 112.341 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -66.18 -55.26 17.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.752 1.221 . . . . 0.0 110.879 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.0 -19.83 65.99 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.364 1.065 . . . . 0.0 113.08 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.31 -32.16 68.19 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.243 -0.911 . . . . 0.0 110.819 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.29 -37.6 77.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.145 0.978 . . . . 0.0 111.121 176.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 49.6 mt -63.28 -51.62 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.453 1.101 . . . . 0.0 108.868 174.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 98.9 mt -56.39 -44.09 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.635 0.774 . . . . 0.0 111.213 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.22 -25.47 68.35 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.15 -30.16 21.26 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.435 1.016 . . . . 0.0 112.085 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.18 -42.37 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.294 1.438 . . . . 0.0 109.795 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.34 -24.7 67.48 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -81.49 -15.23 55.62 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -81.08 128.85 69.53 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 124.128 0.971 . . . . 0.0 110.115 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.41 132.02 49.69 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.594 2.196 . . . . 0.0 113.174 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 pp -157.22 170.28 22.84 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.501 1.52 . . . . 0.0 112.148 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.9 p -137.38 7.63 2.85 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.239 1.416 . . . . 0.0 113.986 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 46.8 m -157.65 161.97 38.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.444 1.898 . . . . 0.0 110.752 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -80.62 1.77 28.44 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 21.9 ttm -82.42 130.46 35.11 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.083 0.953 . . . . 0.0 111.303 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -115.3 115.43 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.504 1.122 . . . . 0.0 110.559 -174.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -94.21 171.37 8.87 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.201 1.4 . . . . 0.0 113.727 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -56.27 -45.86 79.92 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.474 -0.766 . . . . 0.0 112.127 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 9.4 t -54.63 -32.91 59.76 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 87.0 t -74.86 -46.83 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.891 0.877 . . . . 0.0 111.944 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 28.0 m -70.61 -31.99 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 119.881 1.219 . . . . 0.0 113.141 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -63.69 -20.12 65.46 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.979 1.711 . . . . 0.0 112.958 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.23 -31.75 11.22 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.754 1.622 . . . . 0.0 112.545 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.45 82.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.123 -0.986 . . . . 0.0 113.26 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.1 -28.39 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.794 0.837 . . . . 0.0 112.867 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -66.62 -16.95 64.56 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.51 1.524 . . . . 0.0 113.203 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -116.9 -6.59 11.46 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.545 1.538 . . . . 0.0 113.277 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 52.4 p -122.6 1.16 9.46 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -174.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.254 1.325 0 C-N-CA 126.664 1.985 . . . . 0.0 111.906 174.546 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 121.66 0.743 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.83 153.04 92.1 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 125.398 1.479 . . . . 0.0 112.409 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.13 -26.96 42.21 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.247 2.631 . . . . 0.0 112.691 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.8 -33.26 72.72 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.208 -0.933 . . . . 0.0 112.764 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.73 -40.08 69.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.806 0.842 . . . . 0.0 111.741 176.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.49 -45.58 86.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.137 1.375 . . . . 0.0 110.259 174.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.85 -44.9 93.86 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.895 1.278 . . . . 0.0 111.451 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 64.5 m -60.54 -30.36 69.72 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -60.86 -45.42 94.59 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.791 1.178 . . . . 0.0 111.476 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.75 -44.25 50.69 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.45 0.7 . . . . 0.0 112.273 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -35.69 70.13 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.736 -1.228 . . . . 0.0 112.351 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -57.72 -34.35 69.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.255 1.022 . . . . 0.0 113.726 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.18 78.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.15 0.886 . . . . 0.0 112.247 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -66.38 -43.03 87.04 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.529 0.731 . . . . 0.0 110.968 173.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -57.48 -51.17 70.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.657 1.583 . . . . 0.0 112.337 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.04 -27.23 65.47 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -68.46 -35.01 76.96 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.429 1.092 . . . . 0.0 111.825 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.72 2.25 4.42 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.157 1.837 . . . . 0.0 114.946 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.39 165.56 13.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.077 1.351 . . . . 0.0 112.232 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 95.1 mt -128.22 56.19 1.63 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.435 1.894 . . . . 0.0 110.502 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 42.9 tp -43.07 119.67 1.59 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.022 2.129 . . . . 0.0 112.893 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -68.43 159.79 30.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.25 1.42 . . . . 0.0 112.512 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.98 -26.98 72.46 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 123.903 0.764 . . . . 0.0 114.926 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -79.17 -31.88 44.05 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.573 1.187 . . . . 0.0 111.062 173.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.78 49.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.753 1.221 . . . . 0.0 112.532 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.4 tp -60.96 -44.44 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 121.687 -0.633 . . . . 0.0 110.831 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.49 -44.92 89.57 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.723 1.609 . . . . 0.0 111.52 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . 0.525 ' HH ' HG13 ' M' ' 95' ' ' VAL . 63.6 t80 -56.65 -54.99 39.73 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.944 0.898 . . . . 0.0 111.809 178.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.27 3.1 pp -74.62 -23.03 58.64 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 21.2 m -65.32 -42.0 93.42 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.698 0.799 . . . . 0.0 110.32 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.75 -36.5 75.85 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.622 -0.674 . . . . 0.0 112.121 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.85 -12.63 61.03 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 94.7 mt -123.04 10.45 9.43 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.455 1.902 . . . . 0.0 112.558 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -59.76 -24.57 64.18 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.093 1.357 . . . . 0.0 113.666 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 72.6 p -104.65 -4.62 22.27 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.207 1.803 . . . . 0.0 114.352 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -73.82 142.56 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.281 1.032 . . . . 0.0 111.403 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 31.0 m -54.99 126.3 23.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.253 1.821 . . . . 0.0 112.269 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.02 -34.38 73.28 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . 0.424 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.5 pt? -79.26 -6.84 57.57 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.562 1.145 . . . . 0.0 113.949 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -108.43 -5.09 16.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.819 1.648 . . . . 0.0 112.64 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 66.5 tp -52.94 -43.84 66.61 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.313 1.445 . . . . 0.0 111.35 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -67.33 -19.0 65.39 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -102.56 -34.19 9.2 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.835 1.254 . . . . 0.0 111.832 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -68.98 -50.01 52.76 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.34 0.656 . . . . 0.0 112.079 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.45 -26.78 68.69 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.537 1.135 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.84 -30.79 71.77 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.452 0.701 . . . . 0.0 111.75 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.61 -38.04 86.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.758 0.823 . . . . 0.0 111.447 175.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 52.3 mt -66.17 -51.08 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.518 0.727 . . . . 0.0 109.105 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.59 -45.96 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.807 0.731 . . . . 0.0 111.013 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.7 -25.51 68.2 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.196 -0.94 . . . . 0.0 113.495 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.07 -29.2 23.57 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.457 1.026 . . . . 0.0 112.391 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.25 -41.71 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.821 1.248 . . . . 0.0 109.635 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -65.33 -22.79 66.86 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.94 -16.08 57.44 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -82.95 126.81 71.76 Favored Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 124.601 1.16 . . . . 0.0 109.8 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.94 130.76 42.43 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.09 2.526 . . . . 0.0 112.776 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -155.26 169.25 24.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.242 1.417 . . . . 0.0 112.628 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 78.9 p -138.1 6.13 2.59 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.509 1.524 . . . . 0.0 113.83 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 17.6 t -151.91 164.1 37.83 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.434 1.893 . . . . 0.0 110.485 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -94.58 6.6 48.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.129 0.972 . . . . 0.0 113.485 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 43.1 mmm -78.83 126.59 30.91 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.475 -0.766 . . . . 0.0 109.87 173.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 39.7 mm -111.43 102.87 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.366 0.666 . . . . 0.0 109.92 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.61 169.53 17.53 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.888 1.275 . . . . 0.0 113.676 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -55.84 -45.47 78.4 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.602 0.761 . . . . 0.0 111.912 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 9.8 t -55.27 -32.66 62.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.99 -46.67 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.901 0.881 . . . . 0.0 112.321 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.96 -32.34 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-N 119.453 1.024 . . . . 0.0 112.832 175.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -63.14 -19.88 64.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.646 1.578 . . . . 0.0 112.875 174.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.59 -31.16 10.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.846 1.658 . . . . 0.0 113.149 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.57 76.04 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.934 -1.104 . . . . 0.0 113.55 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . 0.525 HG13 ' HH ' ' M' ' 52' ' ' TYR . 9.4 p -61.89 -29.27 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.594 -0.692 . . . . 0.0 112.273 174.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -64.51 -20.4 66.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.269 1.027 . . . . 0.0 113.155 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -108.25 -7.37 15.98 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.368 1.467 . . . . 0.0 113.625 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 67.8 p -130.21 -0.98 4.57 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -173.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.892 2.077 . . . . 0.0 114.299 176.662 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.7 153.44 61.52 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 128.697 2.799 . . . . 0.0 106.918 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -62.5 -24.94 75.6 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 C-N-CA 122.183 1.922 . . . . 0.0 113.476 -174.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -60.48 -24.66 65.44 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.059 -1.026 . . . . 0.0 113.498 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -77.28 -4.68 46.18 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.761 1.224 . . . . 0.0 113.584 174.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 18.4 tp -129.42 -37.83 1.59 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.044 1.738 . . . . 0.0 112.884 -173.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -52.89 -26.06 13.65 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.084 2.154 . . . . 0.0 115.578 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 44.3 m -121.09 -24.83 5.44 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.133 0.973 . . . . 0.0 113.318 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -66.87 -41.13 87.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.118 0.967 . . . . 0.0 112.447 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.94 67.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.468 0.707 . . . . 0.0 112.506 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -42.09 95.61 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.441 -0.787 . . . . 0.0 111.41 174.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.3 m -62.03 -36.63 82.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.379 1.071 . . . . 0.0 112.446 174.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.17 75.06 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.103 -0.998 . . . . 0.0 112.149 174.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -56.67 -44.88 81.83 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.066 0.848 . . . . 0.0 110.588 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -57.93 -43.56 86.35 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.888 1.675 . . . . 0.0 113.261 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.41 -33.72 76.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.109 0.964 . . . . 0.0 113.385 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.54 -12.06 59.97 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 176.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.78 -3.85 34.18 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 126.129 1.823 . . . . 0.0 114.386 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.65 174.81 8.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.467 1.507 . . . . 0.0 111.473 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 88.2 mt -135.92 155.18 50.67 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.667 1.987 . . . . 0.0 107.552 173.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 tp -126.12 124.13 39.85 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 tpt85 -54.14 -24.74 18.99 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -171.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.67 -19.9 37.91 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.478 1.037 . . . . 0.0 113.362 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -99.84 -31.02 11.71 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.709 1.204 . . . . 0.0 109.896 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.63 76.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.383 1.073 . . . . 0.0 113.073 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 tp -59.7 -41.48 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.604 0.762 . . . . 0.0 111.111 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -60.23 -45.11 94.35 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.547 1.539 . . . . 0.0 111.647 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -58.62 -53.16 61.5 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.61 0.764 . . . . 0.0 111.693 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.251 4.4 pp -73.1 -23.92 60.57 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 177.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 18.3 m -63.11 -40.56 98.0 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.391 -0.818 . . . . 0.0 110.369 172.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.24 -32.99 67.19 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.245 -0.91 . . . . 0.0 112.501 174.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.9 -20.71 55.9 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 80.8 mt -118.86 8.54 11.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.487 1.515 . . . . 0.0 113.423 -174.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -55.48 -20.81 13.86 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 47.7 m -112.35 -2.97 14.64 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.202 1.401 . . . . 0.0 113.555 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mm -76.46 136.66 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.942 0.897 . . . . 0.0 109.901 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 18.2 m -53.37 128.21 27.65 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.913 1.685 . . . . 0.0 113.124 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.86 -35.22 74.33 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . 0.439 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.2 pt? -75.86 -2.63 31.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.341 1.456 . . . . 0.0 114.44 174.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -123.44 -2.33 8.49 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.725 2.01 . . . . 0.0 112.34 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.38 -47.08 86.8 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 125.172 1.389 . . . . 0.0 111.859 -174.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -67.37 -40.35 85.73 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.291 0.496 . . . . 0.0 112.14 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.12 -37.86 88.97 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.497 -0.752 . . . . 0.0 112.363 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -68.24 -54.38 18.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.173 0.989 . . . . 0.0 111.101 173.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.47 -30.31 68.44 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.25 1.42 . . . . 0.0 111.983 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.78 -30.38 70.0 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.428 -0.795 . . . . 0.0 112.065 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -66.32 -36.62 83.39 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.492 -0.755 . . . . 0.0 111.091 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.51 -52.25 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.025 0.93 . . . . 0.0 108.553 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 87.3 mt -56.03 -42.78 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.755 0.822 . . . . 0.0 111.228 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -66.31 -27.25 67.77 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.46 -32.12 32.71 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.099 0.96 . . . . 0.0 112.407 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.32 -40.02 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.531 1.132 . . . . 0.0 110.599 173.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.94 -22.56 60.21 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 174.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -81.79 -13.78 57.26 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -88.47 149.44 44.45 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 124.612 1.165 . . . . 0.0 111.036 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.19 131.57 16.77 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.411 2.074 . . . . 0.0 111.142 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 pp -156.51 168.17 28.18 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.468 1.507 . . . . 0.0 112.617 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.7 p -134.49 9.28 3.68 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.225 1.41 . . . . 0.0 113.923 -174.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -150.94 157.75 43.29 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.433 1.893 . . . . 0.0 110.216 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -78.15 -4.2 46.34 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.706 -0.621 . . . . 0.0 112.489 174.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 56.4 tpp -77.51 130.97 37.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.972 0.909 . . . . 0.0 111.336 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.8 mm -115.42 136.37 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 125.943 1.697 . . . . 0.0 109.559 -175.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -118.83 165.92 13.44 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.982 1.313 . . . . 0.0 113.184 -174.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -56.34 -41.06 75.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.969 0.908 . . . . 0.0 112.29 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -62.77 -27.91 69.61 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.54 -43.93 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.79 0.836 . . . . 0.0 110.903 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.64 -37.06 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.499 -0.751 . . . . 0.0 112.053 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -58.13 -24.64 59.53 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.024 1.329 . . . . 0.0 113.394 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.45 -34.58 10.96 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.201 1.4 . . . . 0.0 112.81 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.85 78.97 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.084 -1.01 . . . . 0.0 113.309 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.88 -31.07 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.404 -0.81 . . . . 0.0 112.609 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -69.3 -27.23 65.21 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.159 1.384 . . . . 0.0 112.472 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -92.33 -9.76 40.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.167 1.787 . . . . 0.0 112.839 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 61.2 p -126.64 5.98 6.8 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -173.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.995 1.718 . . . . 0.0 112.381 179.145 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 81.0 mtp . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 121.209 0.528 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 143.0 98.54 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 123.74 0.816 . . . . 0.0 111.788 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -48.68 -35.97 31.36 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 124.722 3.615 . . . . 0.0 115.376 175.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.53 -42.19 62.04 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.554 1.142 . . . . 0.0 112.531 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -67.04 -28.12 67.96 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.633 0.773 . . . . 0.0 112.259 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -75.61 -8.14 56.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.758 1.223 . . . . 0.0 113.306 173.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -121.22 -81.92 0.64 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.285 1.834 . . . . 0.0 111.22 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 74.2 m 45.2 20.95 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.612 2.365 . . . . 0.0 116.737 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -60.81 -48.36 82.17 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 120.861 -1.149 . . . . 0.0 111.326 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.93 -45.18 86.88 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.632 1.173 . . . . 0.0 112.153 177.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -44.07 97.87 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.49 -0.756 . . . . 0.0 111.561 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 33.6 t -61.22 -39.91 92.02 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.185 0.994 . . . . 0.0 112.318 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.33 96.72 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.629 -0.669 . . . . 0.0 112.253 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -64.87 -44.64 89.04 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.248 -0.908 . . . . 0.0 110.625 173.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.6 -50.26 73.7 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.35 -24.25 65.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 72.4 mmt-85 -81.67 -11.58 59.02 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.321 1.449 . . . . 0.0 113.086 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.4 2.4 27.72 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.712 1.625 . . . . 0.0 115.673 173.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -99.81 168.7 9.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.199 1.399 . . . . 0.0 112.742 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.83 82.56 2.08 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.501 1.92 . . . . 0.0 109.61 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.82 121.63 14.48 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.681 1.192 . . . . 0.0 111.389 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -62.65 159.46 16.05 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.899 1.28 . . . . 0.0 113.308 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.8 -26.01 72.01 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.302 0.953 . . . . 0.0 114.749 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.0 -31.55 56.56 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.164 -1.198 . . . . 0.0 110.761 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.82 -41.75 22.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.266 1.426 . . . . 0.0 113.193 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.2 tp -55.33 -43.99 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.605 0.762 . . . . 0.0 110.984 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -60.93 -43.48 98.58 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.46 1.504 . . . . 0.0 112.109 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -61.21 -54.39 44.88 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.104 0.561 . . . . 0.0 112.163 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.31 2.7 pp -71.62 -23.68 61.75 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 17.3 m -64.23 -42.87 96.35 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.225 -0.922 . . . . 0.0 110.417 173.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.49 -35.87 70.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.402 0.681 . . . . 0.0 112.614 174.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -15.95 63.59 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.2 mt -121.99 10.67 10.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.008 1.723 . . . . 0.0 112.912 -174.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -61.57 -14.33 29.12 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 40.0 m -118.77 1.43 11.58 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.223 1.409 . . . . 0.0 113.723 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mm -74.02 145.64 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.03 0.932 . . . . 0.0 110.409 174.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.61 143.94 57.42 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.347 1.059 . . . . 0.0 113.716 -174.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.8 -30.41 65.66 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -174.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . 0.403 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.7 pt? -100.94 -8.24 22.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.642 1.177 . . . . 0.0 113.514 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -101.67 -10.1 20.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.058 1.343 . . . . 0.0 112.524 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.6 tp -56.34 -42.66 78.07 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.356 1.463 . . . . 0.0 112.097 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -68.1 -47.56 67.88 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.54 -33.75 76.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.663 0.785 . . . . 0.0 112.18 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -67.87 -56.19 10.06 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.825 1.25 . . . . 0.0 111.185 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -28.78 69.6 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.119 0.968 . . . . 0.0 112.476 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.26 -28.18 69.53 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.472 -0.767 . . . . 0.0 112.404 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -71.65 -32.74 68.25 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.333 -0.854 . . . . 0.0 111.486 174.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 39.6 mt -65.99 -50.63 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.31 -44.24 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.598 0.759 . . . . 0.0 111.106 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -64.04 -22.98 67.16 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.15 -33.46 18.2 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.687 1.131 . . . . 0.0 111.739 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.55 -41.14 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.717 1.207 . . . . 0.0 110.238 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.88 -6.53 6.1 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.748 1.619 . . . . 0.0 115.249 174.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -111.24 -2.78 15.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.781 1.632 . . . . 0.0 113.776 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -89.04 154.03 49.43 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.45 1.1 . . . . 0.0 110.866 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.45 123.24 8.52 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.675 2.25 . . . . 0.0 111.262 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 pp -155.28 169.59 23.84 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.789 1.636 . . . . 0.0 112.255 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 19.8 m -135.62 15.19 3.4 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.096 1.358 . . . . 0.0 112.975 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -151.08 156.37 40.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.212 1.805 . . . . 0.0 110.501 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -83.4 -2.71 56.45 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.425 0.69 . . . . 0.0 112.371 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 15.8 ttm -78.52 128.94 34.27 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.832 0.853 . . . . 0.0 110.793 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 35.7 mm -115.33 108.56 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.512 1.125 . . . . 0.0 110.922 -173.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.64 166.52 21.0 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.024 0.93 . . . . 0.0 113.331 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -54.24 -44.61 71.89 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.655 1.182 . . . . 0.0 111.971 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -59.95 -29.68 68.57 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.387 1.075 . . . . 0.0 113.114 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.06 -44.03 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.396 1.079 . . . . 0.0 110.688 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -63.61 -40.6 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.579 0.752 . . . . 0.0 111.923 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -58.76 -15.65 13.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.5 1.52 . . . . 0.0 113.985 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -104.63 -35.63 7.75 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.833 1.653 . . . . 0.0 111.712 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.78 84.27 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.16 -0.963 . . . . 0.0 113.37 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.84 -31.68 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.133 0.973 . . . . 0.0 112.553 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -69.67 -28.08 65.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.9 1.28 . . . . 0.0 112.847 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -92.9 -8.75 42.44 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.304 1.442 . . . . 0.0 112.777 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 59.2 p -125.76 5.73 7.42 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.339 1.856 . . . . 0.0 112.724 177.313 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.86 0 CA-C-O 122.957 1.36 . . . . 0.0 111.934 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.61 150.23 58.02 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.183 1.393 . . . . 0.0 112.801 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.61 -20.23 47.26 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 123.309 2.673 . . . . 0.0 113.467 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.88 -30.78 62.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.275 1.03 . . . . 0.0 112.538 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -60.84 -26.84 67.65 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.826 1.65 . . . . 0.0 114.038 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -113.74 -21.78 10.54 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.127 1.371 . . . . 0.0 113.59 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.16 -36.05 69.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.498 1.119 . . . . 0.0 111.704 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 45.1 m -60.29 -26.33 66.42 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -59.31 -47.21 86.24 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.752 1.221 . . . . 0.0 111.333 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.41 -44.77 34.54 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.931 1.292 . . . . 0.0 111.994 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -44.77 95.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.934 0.894 . . . . 0.0 112.34 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 24.6 m -65.81 -32.51 74.08 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.443 -0.786 . . . . 0.0 112.695 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.99 95.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.313 0.645 . . . . 0.0 112.074 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.3 -45.0 86.13 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.689 -0.632 . . . . 0.0 110.237 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.82 -48.65 80.84 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.88 -25.46 66.41 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.032 0.833 . . . . 0.0 113.125 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -80.59 -10.79 59.72 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.973 1.309 . . . . 0.0 113.048 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.71 1.3 30.63 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.827 1.68 . . . . 0.0 115.424 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.53 168.98 10.36 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.932 1.293 . . . . 0.0 112.572 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.7 mt -128.8 89.0 2.81 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.23 1.812 . . . . 0.0 109.649 175.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.71 116.52 6.35 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.646 1.178 . . . . 0.0 111.001 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -61.25 159.24 12.55 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.533 1.533 . . . . 0.0 113.463 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.59 -29.79 76.13 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 123.586 0.612 . . . . 0.0 113.7 174.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.6 -21.44 60.33 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.216 1.008 . . . . 0.0 112.557 173.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.13 -39.74 11.42 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.747 1.219 . . . . 0.0 112.566 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 8.9 tp -59.53 -39.2 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.293 -0.879 . . . . 0.0 111.633 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -70.53 -10.61 59.66 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -88.91 -57.47 2.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.776 0.83 . . . . 0.0 110.601 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.266 1.7 pp -73.07 -16.15 61.49 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -175.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 13.7 t -58.97 -33.34 70.55 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.386 1.074 . . . . 0.0 113.09 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -99.84 -17.34 17.69 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.834 1.254 . . . . 0.0 113.373 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.19 -17.28 60.41 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.152 -0.967 . . . . 0.0 112.785 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 79.1 mt -123.94 8.9 8.72 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.548 1.939 . . . . 0.0 112.677 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -61.98 -25.67 67.76 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.045 -1.035 . . . . 0.0 113.444 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -88.16 1.78 53.6 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.813 1.645 . . . . 0.0 113.738 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -103.32 142.09 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.465 1.506 . . . . 0.0 111.052 -176.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 35.7 m -53.06 132.5 38.04 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 127.207 2.203 . . . . 0.0 113.232 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.35 -29.91 61.97 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.96 -9.26 26.46 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.187 1.395 . . . . 0.0 113.703 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.96 -9.15 20.92 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.337 1.455 . . . . 0.0 111.457 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.46 -39.52 80.16 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.578 1.951 . . . . 0.0 112.166 -176.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.44 -43.52 80.93 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.55 -35.22 77.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.717 0.807 . . . . 0.0 112.456 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -67.55 -53.83 25.06 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.024 1.33 . . . . 0.0 111.702 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.99 -20.12 65.67 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.581 1.152 . . . . 0.0 112.944 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.03 -32.94 70.19 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.584 0.753 . . . . 0.0 110.678 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.42 -31.49 67.29 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.11 0.964 . . . . 0.0 111.614 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 57.0 mt -67.69 -50.61 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.143 0.977 . . . . 0.0 108.444 174.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 89.8 mt -58.71 -41.58 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.398 -0.814 . . . . 0.0 111.135 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.42 -22.96 66.83 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.046 -1.034 . . . . 0.0 113.595 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.75 -31.49 20.91 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.277 1.031 . . . . 0.0 112.625 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.79 -39.7 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.735 1.214 . . . . 0.0 110.346 173.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -61.63 -17.97 57.51 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 175.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -87.05 -9.71 54.8 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -95.79 151.28 38.31 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.593 1.157 . . . . 0.0 111.453 -175.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.54 128.96 13.17 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.633 2.222 . . . . 0.0 111.391 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 pp -157.16 168.0 28.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.783 1.633 . . . . 0.0 111.59 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 23.3 m -130.7 4.67 4.61 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.506 1.122 . . . . 0.0 113.589 -174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 86.0 p -151.65 171.22 17.99 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.531 1.533 . . . . 0.0 111.263 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -82.67 0.9 41.12 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 21.5 ttm -83.31 129.41 35.0 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.151 -0.968 . . . . 0.0 111.032 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.52 109.34 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.735 1.214 . . . . 0.0 110.947 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -82.17 168.72 17.4 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.895 1.278 . . . . 0.0 113.763 175.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -52.42 -49.65 64.09 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.364 1.065 . . . . 0.0 111.625 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -57.76 -30.37 65.57 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.346 1.058 . . . . 0.0 112.818 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.2 -45.34 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.739 1.216 . . . . 0.0 111.068 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.36 -39.63 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.895 0.878 . . . . 0.0 112.227 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -60.0 -20.57 58.46 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.168 1.787 . . . . 0.0 113.262 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.65 -34.8 8.93 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.129 1.772 . . . . 0.0 112.799 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.01 79.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.49 1.116 . . . . 0.0 113.206 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.52 -32.68 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.18 -0.95 . . . . 0.0 112.63 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -64.2 -28.07 69.49 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.406 1.482 . . . . 0.0 112.625 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -84.06 -35.71 23.58 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.839 1.656 . . . . 0.0 111.209 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 23.7 p -68.55 -19.59 64.5 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.957 1.703 . . . . 0.0 112.211 -173.151 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 77.1 mtp . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.19 159.1 40.45 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 127.019 2.127 . . . . 0.0 109.81 174.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -60.43 -24.54 78.14 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.533 2.155 . . . . 0.0 112.973 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.46 -23.81 67.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 113.38 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -84.8 -44.55 13.17 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.038 0.935 . . . . 0.0 110.998 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.8 -32.59 71.93 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.449 1.1 . . . . 0.0 112.279 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -53.33 -59.13 4.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.915 1.686 . . . . 0.0 111.671 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 43.3 m -67.7 -34.34 76.68 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -60.26 -42.15 94.72 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.831 1.252 . . . . 0.0 111.632 174.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.79 -48.89 51.83 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.4 1.48 . . . . 0.0 112.697 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -38.44 71.99 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.619 1.168 . . . . 0.0 112.49 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -56.07 -34.58 66.09 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.01 -44.57 65.62 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.059 -1.026 . . . . 0.0 112.451 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -59.95 -43.59 94.93 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.641 -0.662 . . . . 0.0 110.526 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -58.13 -44.66 87.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.194 1.798 . . . . 0.0 112.876 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 44.9 mt -61.76 -37.24 83.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.947 0.899 . . . . 0.0 113.152 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -76.74 -12.88 60.05 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.53 10.17 36.41 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.306 1.431 . . . . 0.0 114.932 174.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -87.08 161.56 18.07 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.673 1.189 . . . . 0.0 112.489 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -126.99 57.23 1.47 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.055 2.142 . . . . 0.0 109.646 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 48.6 tp -48.94 117.62 2.18 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.5 1.92 . . . . 0.0 112.496 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -59.41 156.53 12.78 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.394 1.878 . . . . 0.0 112.88 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.77 -43.37 96.51 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 123.872 0.749 . . . . 0.0 113.844 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.33 -26.34 66.5 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.88 1.272 . . . . 0.0 113.865 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.71 -38.9 11.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.118 1.367 . . . . 0.0 112.103 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -43.82 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.43 0.692 . . . . 0.0 109.9 176.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -65.74 -35.01 79.51 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.893 0.77 . . . . 0.0 112.635 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.97 -53.91 53.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.714 0.806 . . . . 0.0 111.296 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.256 3.1 pp -75.48 -24.24 56.9 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 44.5 m -63.85 -41.98 97.69 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.848 0.749 . . . . 0.0 111.128 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.47 -38.53 65.41 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.361 0.665 . . . . 0.0 112.512 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.03 -18.96 65.69 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -121.67 13.31 10.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.299 1.84 . . . . 0.0 112.045 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -61.78 -20.77 63.94 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.705 1.202 . . . . 0.0 113.684 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.2 p -105.34 -5.62 20.32 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.806 1.642 . . . . 0.0 114.492 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 2.4 mm -72.8 141.71 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.354 1.062 . . . . 0.0 110.669 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -61.32 132.87 54.95 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.21 1.404 . . . . 0.0 112.3 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.5 -34.06 68.69 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -173.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -86.28 -14.63 43.15 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.306 1.043 . . . . 0.0 113.345 178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -95.52 -18.3 20.75 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.205 1.402 . . . . 0.0 111.915 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.5 tp -56.4 -39.8 73.59 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 126.571 1.948 . . . . 0.0 111.825 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.39 -43.65 93.79 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.49 -37.6 68.4 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.87 0.868 . . . . 0.0 112.624 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -62.41 -57.17 12.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.652 1.181 . . . . 0.0 111.416 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tt -68.71 -20.96 64.43 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.491 1.116 . . . . 0.0 112.937 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -60.55 -30.63 69.89 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.287 -0.883 . . . . 0.0 110.649 173.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.85 -36.18 79.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.544 0.737 . . . . 0.0 111.335 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.95 -47.88 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.125 0.97 . . . . 0.0 109.287 174.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 90.3 mt -58.31 -44.49 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.926 0.785 . . . . 0.0 110.925 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -66.6 -20.62 66.05 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 120.776 -1.202 . . . . 0.0 113.6 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.4 -18.27 28.71 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.059 1.344 . . . . 0.0 112.895 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.69 -40.58 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.344 1.458 . . . . 0.0 108.615 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.24 -28.77 69.96 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -78.42 -12.71 60.02 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -85.4 151.27 56.0 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 124.418 1.087 . . . . 0.0 110.74 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.27 122.69 8.57 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.389 2.06 . . . . 0.0 111.38 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -152.58 169.6 22.27 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.789 1.636 . . . . 0.0 111.878 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 81.8 p -138.08 7.85 2.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.01 1.324 . . . . 0.0 113.821 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 54.7 m -157.03 160.41 38.94 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.849 1.66 . . . . 0.0 111.47 175.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -84.19 3.28 35.86 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.902 1.281 . . . . 0.0 113.92 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 9.5 ttm -89.3 81.72 6.62 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.718 1.207 . . . . 0.0 111.416 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 31.4 mm -65.71 139.78 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.466 1.106 . . . . 0.0 111.017 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.15 165.43 14.78 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.374 1.47 . . . . 0.0 112.873 -174.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -54.19 -47.72 71.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.499 0.72 . . . . 0.0 111.01 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 8.1 m -59.66 -25.61 64.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.026 0.93 . . . . 0.0 113.322 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 97.7 t -81.46 -43.76 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.671 1.189 . . . . 0.0 111.38 174.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.34 -38.89 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 121.318 -0.864 . . . . 0.0 112.55 176.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -60.88 -18.95 59.26 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.253 1.821 . . . . 0.0 113.201 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.17 -31.03 10.78 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.148 1.779 . . . . 0.0 112.009 173.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.8 -38.25 88.48 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.959 -1.088 . . . . 0.0 113.094 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.81 -29.97 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.823 0.849 . . . . 0.0 112.672 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -71.84 -20.56 61.8 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.191 1.397 . . . . 0.0 112.899 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -99.91 -8.94 23.39 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.295 1.838 . . . . 0.0 112.866 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 61.6 p -128.45 7.68 5.86 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -173.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.158 1.783 . . . . 0.0 112.459 176.06 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 121.629 0.728 . . . . 0.0 111.566 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.02 160.86 28.92 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.496 1.918 . . . . 0.0 110.238 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -48.14 -43.0 32.18 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 124.029 3.153 . . . . 0.0 115.115 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.11 -39.57 93.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.317 -0.865 . . . . 0.0 112.746 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -70.11 -37.8 75.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.838 0.855 . . . . 0.0 111.984 175.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.71 -23.37 65.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.907 1.283 . . . . 0.0 112.99 175.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -93.68 -22.09 18.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.984 1.713 . . . . 0.0 113.763 176.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -75.3 33.93 0.11 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.297 1.839 . . . . 0.0 114.554 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -57.32 -46.28 83.39 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.35 1.46 . . . . 0.0 113.125 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.88 74.87 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.88 -39.67 94.74 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.406 -0.809 . . . . 0.0 111.184 174.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -61.53 -35.8 78.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.813 0.845 . . . . 0.0 112.558 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -46.06 81.97 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.017 -1.052 . . . . 0.0 112.513 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -60.77 -43.91 97.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.037 0.935 . . . . 0.0 110.915 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -58.24 -44.8 88.43 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.382 1.873 . . . . 0.0 113.02 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.4 -32.87 72.82 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.132 0.973 . . . . 0.0 113.032 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.41 -9.39 59.47 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 174.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.87 5.26 41.62 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.68 1.609 . . . . 0.0 115.452 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.52 164.73 15.29 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.516 1.158 . . . . 0.0 113.158 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.78 77.82 1.78 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.541 2.336 . . . . 0.0 109.264 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.04 125.62 24.62 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.344 1.058 . . . . 0.0 112.004 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -65.89 159.64 25.08 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.654 1.182 . . . . 0.0 112.955 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.5 -24.94 73.89 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.234 0.921 . . . . 0.0 114.996 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -81.13 -31.59 34.14 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.765 1.282 . . . . 0.0 110.774 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.31 -40.64 58.29 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.585 1.154 . . . . 0.0 112.159 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.63 -44.43 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 121.922 -0.486 . . . . 0.0 110.538 173.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -60.54 -40.62 92.19 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.506 1.522 . . . . 0.0 112.17 176.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -60.2 -54.17 49.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.592 0.757 . . . . 0.0 111.979 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.56 -21.88 57.49 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 16.3 m -58.72 -36.77 74.82 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.342 1.057 . . . . 0.0 111.352 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.25 -28.44 59.84 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.03 -38.51 61.46 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.991 0.916 . . . . 0.0 112.528 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.76 -7.09 59.28 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.996 1.318 . . . . 0.0 113.308 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -57.07 -28.59 62.72 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.3 p -109.34 -1.49 18.46 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.569 1.547 . . . . 0.0 113.807 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mm -77.67 143.5 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.559 1.144 . . . . 0.0 111.415 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m -54.68 128.28 31.89 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.256 1.822 . . . . 0.0 112.378 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.55 -34.3 73.94 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -175.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . 0.422 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.4 pt? -78.74 -3.92 46.68 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -116.02 -1.66 12.45 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.211 1.804 . . . . 0.0 112.424 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 tp -53.95 -46.64 71.63 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.651 1.58 . . . . 0.0 111.715 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.04 -43.66 91.61 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.248 0.619 . . . . 0.0 112.568 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.42 -35.23 70.91 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -69.16 -51.71 35.46 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.317 1.047 . . . . 0.0 112.457 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.8 -24.71 67.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.239 1.016 . . . . 0.0 112.453 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.9 -35.66 77.22 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.736 0.815 . . . . 0.0 111.325 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -68.62 -31.86 71.32 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.045 0.938 . . . . 0.0 111.46 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 62.7 mt -70.81 -52.78 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 78.6 mt -57.93 -41.9 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.383 0.673 . . . . 0.0 111.457 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.68 -25.91 67.69 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 174.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.18 -21.32 22.24 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.66 1.184 . . . . 0.0 113.011 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -75.13 -41.32 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.41 1.084 . . . . 0.0 108.904 171.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.21 -13.12 57.52 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.867 1.667 . . . . 0.0 115.099 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -108.05 0.18 21.59 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -85.42 145.39 42.25 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.233 1.013 . . . . 0.0 111.102 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.12 104.36 1.83 Allowed 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.278 2.652 . . . . 0.0 111.931 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 pp -139.31 -2.94 1.58 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 6.7 t 49.42 15.64 0.14 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.054 2.142 . . . . 0.0 116.559 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -144.23 -170.24 3.31 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.74 1.616 . . . . 0.0 111.715 -174.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -122.96 -2.64 8.69 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.604 1.562 . . . . 0.0 112.424 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 19.4 ttm -83.2 127.36 33.56 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.194 -0.942 . . . . 0.0 109.391 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 34.8 mm -113.35 108.49 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.13 0.972 . . . . 0.0 111.686 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.73 165.23 23.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.825 1.25 . . . . 0.0 113.369 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -56.78 -43.42 80.84 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.326 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t -56.54 -35.45 68.11 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.838 0.744 . . . . 0.0 112.798 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.59 -43.42 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.216 1.006 . . . . 0.0 111.576 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 48.3 t -69.76 -38.68 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.19 0.996 . . . . 0.0 112.308 176.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -59.24 -22.43 61.09 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.9 1.68 . . . . 0.0 112.991 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.03 -32.69 10.49 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.862 1.665 . . . . 0.0 112.452 173.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.8 86.14 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.019 -1.051 . . . . 0.0 113.505 175.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.23 -30.3 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.538 0.735 . . . . 0.0 112.647 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -64.13 -22.97 67.15 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.777 1.631 . . . . 0.0 113.037 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -90.05 -31.25 17.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.88 1.272 . . . . 0.0 111.46 175.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 25.0 p -74.16 -18.62 60.76 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.66 1.584 . . . . 0.0 112.815 -172.883 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 46.7 ttp . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 120.359 0.123 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.74 130.26 36.98 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.703 1.201 . . . . 0.0 112.457 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -48.71 -37.36 34.96 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 124.577 3.518 . . . . 0.0 115.373 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.89 -21.25 60.79 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -88.18 -9.65 52.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.367 1.467 . . . . 0.0 113.515 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 pp -133.7 -12.01 2.67 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -174.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -67.87 -51.78 44.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.042 1.337 . . . . 0.0 112.046 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 27.7 m 42.39 25.62 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 128.871 2.868 . . . . 0.0 118.134 174.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -61.98 -47.38 85.07 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 120.827 -1.17 . . . . 0.0 112.461 -175.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.79 -37.85 64.83 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -40.64 89.76 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.602 -0.686 . . . . 0.0 111.55 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.2 m -62.41 -32.64 73.5 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.876 0.871 . . . . 0.0 113.229 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.18 77.96 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.536 -0.727 . . . . 0.0 112.316 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.55 -42.69 86.75 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.261 0.624 . . . . 0.0 110.992 173.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -55.02 -50.68 68.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.357 1.863 . . . . 0.0 113.188 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.74 -24.86 64.51 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -69.45 -27.03 64.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.836 1.255 . . . . 0.0 112.905 173.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.91 -3.82 19.12 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 126.289 1.9 . . . . 0.0 114.079 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.06 164.42 14.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.377 1.471 . . . . 0.0 112.377 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.8 mt -129.96 81.65 2.02 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.478 1.911 . . . . 0.0 109.666 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 tp -62.11 120.04 10.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.929 1.692 . . . . 0.0 111.295 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -72.49 165.24 25.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.372 1.069 . . . . 0.0 112.816 -176.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.95 -24.62 73.1 Favored Glycine 0 CA--C 1.539 1.58 0 N-CA-C 115.647 1.019 . . . . 0.0 115.647 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -85.85 -30.35 23.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.987 1.394 . . . . 0.0 110.182 172.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.15 72.5 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.346 1.058 . . . . 0.0 112.116 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 tp -57.81 -45.99 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.753 0.821 . . . . 0.0 110.875 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -60.94 -43.56 98.5 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.104 1.362 . . . . 0.0 112.224 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -58.11 -53.09 62.2 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.849 0.86 . . . . 0.0 111.661 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.281 4.3 pp -73.7 -26.5 60.74 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.7 m -62.67 -40.48 97.21 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.269 0.94 . . . . 0.0 110.683 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -72.17 -33.98 68.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.527 0.731 . . . . 0.0 112.512 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.3 -29.23 67.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.92 11.44 33.58 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.48 1.912 . . . . 0.0 112.469 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -57.86 -18.96 25.69 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -174.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -123.04 7.12 9.23 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.3 1.44 . . . . 0.0 113.353 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -70.42 142.66 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.913 0.885 . . . . 0.0 110.664 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 37.3 m -52.88 132.71 37.48 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.363 1.865 . . . . 0.0 113.076 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.57 -29.16 64.2 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.25 3.23 51.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.395 1.478 . . . . 0.0 113.462 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -120.12 1.0 10.82 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.149 1.779 . . . . 0.0 112.303 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 67.7 tp -56.62 -44.59 81.35 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.136 1.374 . . . . 0.0 111.523 -177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.03 -44.37 76.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.94 0.496 . . . . 0.0 112.093 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.88 -34.2 77.59 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.869 0.868 . . . . 0.0 112.744 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -69.65 -54.14 15.33 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.762 1.225 . . . . 0.0 111.857 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.87 -26.08 67.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.948 1.299 . . . . 0.0 112.847 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -58.94 -34.72 72.07 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.279 1.032 . . . . 0.0 111.15 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.91 -32.35 69.26 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.696 0.798 . . . . 0.0 111.558 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.65 -52.45 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.185 0.994 . . . . 0.0 108.583 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 81.1 mt -56.85 -45.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.851 0.75 . . . . 0.0 111.359 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -63.3 -28.03 69.74 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.83 -33.27 46.21 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.276 0.944 . . . . 0.0 111.37 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 74.2 t -66.4 -41.3 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.404 1.081 . . . . 0.0 110.505 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.21 -21.87 62.3 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -91.96 -12.42 33.41 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.831 1.252 . . . . 0.0 114.269 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.37 150.38 82.51 Favored Pre-proline 0 N--CA 1.473 0.719 0 CA-C-N 119.236 0.925 . . . . 0.0 110.8 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -87.94 27.45 0.54 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.627 2.885 . . . . 0.0 115.359 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 pp -48.16 -20.1 0.33 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 128.538 2.735 . . . . 0.0 116.703 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 20.6 m 52.18 16.63 0.59 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.683 1.993 . . . . 0.0 116.27 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 13.9 t -142.32 -163.49 1.61 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.736 2.014 . . . . 0.0 110.455 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -128.69 4.29 5.51 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.469 1.108 . . . . 0.0 112.834 173.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 64.1 mmm -84.65 125.7 32.71 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.102 0.961 . . . . 0.0 109.665 174.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 29.5 mm -113.76 91.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.977 0.911 . . . . 0.0 109.472 -174.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -73.67 168.01 20.21 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.09 0.956 . . . . 0.0 113.061 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -49.75 -49.06 49.66 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.911 0.885 . . . . 0.0 111.626 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -57.6 -30.1 65.04 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.361 1.065 . . . . 0.0 113.113 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.5 t -74.52 -43.85 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.72 1.208 . . . . 0.0 111.218 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.06 -37.78 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.097 0.959 . . . . 0.0 111.974 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -60.38 -19.85 57.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.181 1.792 . . . . 0.0 112.998 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.63 -27.6 12.98 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.358 1.863 . . . . 0.0 112.448 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.79 -36.37 67.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.267 1.027 . . . . 0.0 113.359 174.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.55 -25.77 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.243 1.017 . . . . 0.0 113.303 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -64.8 -13.39 55.37 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.498 1.519 . . . . 0.0 113.145 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -112.6 -23.79 10.04 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.307 1.443 . . . . 0.0 113.054 174.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 28.8 p -80.51 -15.52 56.51 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.546 1.538 . . . . 0.0 113.048 -172.617 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 42.0 mtp . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 121.795 0.807 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.41 160.06 58.48 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 126.558 1.943 . . . . 0.0 110.832 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -49.22 -40.79 42.8 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 124.741 3.627 . . . . 0.0 115.882 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.21 -37.83 72.05 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.312 -0.868 . . . . 0.0 112.376 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -72.03 -44.4 63.46 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.122 0.969 . . . . 0.0 112.224 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.83 -28.37 67.5 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -74.01 -39.76 63.37 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.274 1.029 . . . . 0.0 111.25 173.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 38.7 m -74.71 -9.73 58.84 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.211 1.405 . . . . 0.0 114.333 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -56.07 -32.64 64.29 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.506 1.522 . . . . 0.0 114.75 -174.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.63 -42.96 33.06 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.091 0.956 . . . . 0.0 112.767 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.64 -43.62 96.27 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.737 0.815 . . . . 0.0 111.808 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 90.5 p -60.81 -35.68 77.1 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.7 96.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.936 0.789 . . . . 0.0 112.958 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -65.63 -44.58 86.03 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.2 0.6 . . . . 0.0 110.803 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.26 -37.11 84.18 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.71 -34.48 75.87 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.262 1.025 . . . . 0.0 112.278 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -82.97 -8.46 59.56 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.597 1.159 . . . . 0.0 113.399 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.91 1.55 48.91 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.999 1.762 . . . . 0.0 114.935 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.54 164.79 17.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.675 1.238 . . . . 0.0 112.875 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -129.02 85.25 2.3 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.787 2.035 . . . . 0.0 109.735 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 25.9 tp -64.47 123.55 19.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.828 1.251 . . . . 0.0 111.502 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -64.55 160.66 19.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.842 1.257 . . . . 0.0 113.17 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.75 -24.06 72.63 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.205 0.907 . . . . 0.0 114.809 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -82.35 -30.65 30.24 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.499 1.15 . . . . 0.0 110.796 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.53 -42.21 53.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.84 1.256 . . . . 0.0 112.526 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.5 tp -58.47 -44.01 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.603 0.761 . . . . 0.0 110.69 174.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.21 -42.89 99.38 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.16 1.384 . . . . 0.0 112.089 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.48 -53.87 53.14 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.321 0.648 . . . . 0.0 111.856 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.286 3.6 pp -72.87 -23.01 60.68 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 18.4 m -62.89 -40.5 97.74 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.209 -0.932 . . . . 0.0 110.422 173.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -74.13 -34.7 63.96 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.529 0.732 . . . . 0.0 112.222 174.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.55 -16.48 63.43 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 79.5 mt -121.86 12.62 10.56 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.616 1.967 . . . . 0.0 112.195 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -58.54 -17.66 23.3 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.8 p -126.84 4.23 6.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.914 1.686 . . . . 0.0 113.963 -177.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 mm -68.38 142.32 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.927 0.891 . . . . 0.0 111.158 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 28.7 m -54.85 127.33 28.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.876 1.671 . . . . 0.0 112.346 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -57.89 -36.72 72.79 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -174.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . 0.437 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.6 pt? -80.67 -5.72 57.38 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.737 1.215 . . . . 0.0 114.046 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -111.65 -4.91 14.57 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.258 1.823 . . . . 0.0 112.672 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.29 -42.7 82.23 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.42 1.488 . . . . 0.0 111.978 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.71 -50.44 62.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.467 0.307 . . . . 0.0 111.652 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.95 -33.37 74.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.668 0.787 . . . . 0.0 112.536 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -69.67 -57.93 4.54 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.684 1.194 . . . . 0.0 111.491 174.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.81 -23.8 67.5 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.101 0.96 . . . . 0.0 112.542 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.2 -29.33 70.3 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.245 -0.909 . . . . 0.0 112.089 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -70.07 -34.8 73.63 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.378 -0.826 . . . . 0.0 111.209 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mt -63.78 -52.02 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 98.1 mt -54.94 -47.59 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.671 0.788 . . . . 0.0 110.963 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -61.56 -26.09 67.73 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.18 -24.96 25.93 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.059 0.845 . . . . 0.0 112.368 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.98 -38.93 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.886 1.274 . . . . 0.0 110.083 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.2 -15.39 33.74 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -114.94 3.27 14.49 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -176.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -82.69 157.09 67.56 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 124.26 1.024 . . . . 0.0 111.015 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.36 115.83 4.48 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.399 2.066 . . . . 0.0 111.579 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.6 169.07 24.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.056 1.742 . . . . 0.0 111.439 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 3.2 t -133.42 10.19 4.06 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.826 1.25 . . . . 0.0 113.186 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -150.73 170.78 18.41 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.569 1.548 . . . . 0.0 111.144 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -85.87 0.95 51.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.23 1.012 . . . . 0.0 113.352 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.1 ttm -84.31 127.58 34.06 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.151 -0.968 . . . . 0.0 111.174 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.8 mm -112.83 104.83 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.495 1.118 . . . . 0.0 110.772 -173.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.63 167.97 20.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.013 0.925 . . . . 0.0 113.362 174.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -53.77 -47.5 70.67 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.753 0.821 . . . . 0.0 111.626 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -57.92 -31.71 67.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.222 1.009 . . . . 0.0 113.037 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.8 t -71.35 -43.55 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.866 1.266 . . . . 0.0 111.317 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 51.9 t -67.42 -38.97 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 O-C-N 121.125 -0.985 . . . . 0.0 111.598 174.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -60.42 -19.97 58.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.278 1.831 . . . . 0.0 112.866 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.61 -32.99 10.81 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.225 1.81 . . . . 0.0 112.326 173.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.31 84.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.474 1.11 . . . . 0.0 113.64 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.65 -27.81 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.045 0.938 . . . . 0.0 112.826 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -68.32 -19.74 64.69 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.385 1.474 . . . . 0.0 113.291 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -112.43 -7.8 13.92 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.214 1.406 . . . . 0.0 113.234 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 59.1 p -119.87 2.64 11.06 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.663 1.985 . . . . 0.0 112.177 174.735 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tpt . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.13 164.37 20.97 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 126.005 1.722 . . . . 0.0 111.003 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.44 -33.19 45.82 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 124.011 3.141 . . . . 0.0 115.296 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.12 -33.2 74.01 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.116 -0.99 . . . . 0.0 112.572 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -73.51 -35.3 65.58 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.831 0.852 . . . . 0.0 111.653 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -42.21 95.73 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.195 0.907 . . . . 0.0 111.374 173.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.49 -40.24 95.31 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.291 1.037 . . . . 0.0 111.834 174.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 49.7 m -66.71 -40.64 88.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.065 0.946 . . . . 0.0 112.984 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -56.47 -35.63 68.16 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.35 1.46 . . . . 0.0 112.971 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.76 98.1 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 175.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.15 -39.16 82.71 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.796 -0.565 . . . . 0.0 111.336 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 44.9 m -58.36 -41.27 84.33 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.72 0.808 . . . . 0.0 113.084 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.05 99.64 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.442 -0.786 . . . . 0.0 112.496 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.17 -37.54 78.23 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.815 0.846 . . . . 0.0 112.208 174.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -62.29 -39.46 93.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.624 1.57 . . . . 0.0 112.916 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 68.6 mt -60.37 -28.65 68.37 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.269 1.028 . . . . 0.0 112.935 174.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.93 -8.46 49.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.232 1.413 . . . . 0.0 113.431 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.06 7.3 58.6 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.604 1.573 . . . . 0.0 115.468 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.17 165.83 21.19 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.951 1.375 . . . . 0.0 112.878 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 90.2 mt -126.4 76.94 1.66 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.316 2.246 . . . . 0.0 109.571 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.63 117.12 4.94 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.691 1.196 . . . . 0.0 110.267 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -62.59 161.3 12.35 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.994 0.918 . . . . 0.0 113.136 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -36.34 92.73 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 123.99 0.805 . . . . 0.0 113.437 174.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.96 -31.08 68.62 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.215 -1.168 . . . . 0.0 111.755 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.64 -44.06 29.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.741 1.216 . . . . 0.0 112.812 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -41.93 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.911 0.778 . . . . 0.0 109.678 174.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -59.36 -34.52 72.49 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.671 1.188 . . . . 0.0 112.621 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.92 -53.14 22.62 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.903 -0.498 . . . . 0.0 112.027 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.257 3.8 pp -76.2 -21.95 55.85 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -31.23 72.34 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.999 1.272 . . . . 0.0 111.382 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -80.16 -32.74 38.8 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.245 1.018 . . . . 0.0 112.17 174.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.72 -15.09 63.09 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.906 0.883 . . . . 0.0 112.906 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 80.4 mt -120.84 12.76 11.36 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.133 2.173 . . . . 0.0 112.378 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -57.33 -30.19 64.59 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.282 1.433 . . . . 0.0 113.992 -174.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.6 p -116.07 1.9 13.32 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.648 1.579 . . . . 0.0 113.835 -175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.5 139.51 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.084 0.954 . . . . 0.0 111.252 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 21.4 m -54.35 127.29 26.66 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.014 1.725 . . . . 0.0 112.568 175.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.46 -35.8 72.71 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . 0.42 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.6 pt? -79.52 -6.34 56.79 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.856 1.262 . . . . 0.0 114.144 175.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -112.93 0.02 14.97 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.615 1.966 . . . . 0.0 112.464 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.25 -47.39 78.61 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.07 1.348 . . . . 0.0 111.432 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.16 -40.87 74.48 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.662 0.385 . . . . 0.0 111.863 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.21 -34.45 77.69 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.789 0.836 . . . . 0.0 112.93 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -73.65 -52.08 14.56 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.903 1.281 . . . . 0.0 111.362 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.42 -25.09 64.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.114 1.366 . . . . 0.0 113.236 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -55.28 -36.83 66.56 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.795 1.238 . . . . 0.0 111.792 174.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -67.1 -40.68 86.94 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.173 0.989 . . . . 0.0 111.45 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.57 -49.97 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.115 0.966 . . . . 0.0 109.481 176.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 80.4 mt -56.35 -46.37 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.288 0.635 . . . . 0.0 110.816 177.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -67.97 -8.59 38.43 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.33 -32.14 9.7 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.083 1.353 . . . . 0.0 111.764 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.79 -42.71 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.861 1.265 . . . . 0.0 109.978 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.33 -16.41 60.29 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -93.64 -10.88 33.04 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -80.57 148.59 66.3 Favored Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 124.3 1.04 . . . . 0.0 110.612 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.81 124.82 9.0 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.174 1.916 . . . . 0.0 111.227 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.25 167.47 30.28 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.316 1.446 . . . . 0.0 112.189 177.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 45.2 m -131.6 16.86 4.84 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.591 1.557 . . . . 0.0 112.623 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -150.17 158.2 43.91 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.549 1.94 . . . . 0.0 110.453 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -84.5 -2.2 56.92 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.835 0.854 . . . . 0.0 112.366 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 32.8 ttm -78.89 130.18 35.35 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 120.967 -1.083 . . . . 0.0 112.05 176.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.42 100.16 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.001 1.32 . . . . 0.0 108.709 -174.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.52 167.52 21.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.716 0.806 . . . . 0.0 112.976 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -52.92 -45.75 67.76 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.222 1.009 . . . . 0.0 111.841 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -60.16 -29.39 68.64 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.03 0.932 . . . . 0.0 113.373 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.34 -44.18 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.287 1.035 . . . . 0.0 110.659 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.85 -38.69 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.388 -0.82 . . . . 0.0 111.874 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.29 -16.28 32.98 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.959 1.303 . . . . 0.0 113.611 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.4 -28.71 12.44 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.398 1.479 . . . . 0.0 111.987 174.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.01 -37.24 69.82 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.514 1.126 . . . . 0.0 112.951 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.6 -26.8 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.549 1.14 . . . . 0.0 112.943 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -67.21 -18.59 65.31 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.728 1.611 . . . . 0.0 113.623 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -117.15 -5.75 11.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.376 1.47 . . . . 0.0 113.382 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 67.2 p -124.91 0.25 7.97 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -174.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.154 1.382 . . . . 0.0 113.764 176.84 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 10.5 tpt . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 120.771 0.32 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.15 158.44 66.91 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.94 1.296 . . . . 0.0 114.158 -173.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -52.5 -14.07 2.8 Favored 'Trans proline' 0 C--N 1.356 0.951 1 C-N-CA 126.4 4.733 . . . . 0.0 118.462 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -103.81 -16.55 15.37 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.366 0.984 . . . . 0.0 113.266 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -78.79 -28.67 44.64 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.734 0.814 . . . . 0.0 112.516 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.86 -24.1 62.44 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.523 0.729 . . . . 0.0 112.741 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -70.92 -32.14 68.98 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.043 1.337 . . . . 0.0 112.208 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 26.1 m -59.86 -12.23 7.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -52.95 -39.86 63.21 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.697 1.135 . . . . 0.0 112.303 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.14 55.72 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.38 -37.51 78.11 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.07 -1.019 . . . . 0.0 111.614 174.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -60.04 -39.78 87.09 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.106 0.963 . . . . 0.0 112.991 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.46 98.1 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.768 -1.208 . . . . 0.0 112.004 175.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -61.28 -44.51 97.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.683 0.793 . . . . 0.0 110.958 173.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -59.65 -43.18 94.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.212 1.405 . . . . 0.0 112.689 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.6 -32.15 73.1 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.557 1.143 . . . . 0.0 113.051 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -82.14 -8.64 59.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.997 0.919 . . . . 0.0 113.415 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.21 4.71 38.12 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.777 1.656 . . . . 0.0 115.156 174.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.04 165.43 14.03 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.837 1.318 . . . . 0.0 113.036 -174.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.45 73.02 1.29 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.189 2.196 . . . . 0.0 109.411 175.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 38.9 tp -58.79 121.33 10.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.87 1.268 . . . . 0.0 111.333 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -62.11 158.35 16.95 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.729 1.212 . . . . 0.0 113.045 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.66 -25.59 71.7 Favored Glycine 0 CA--C 1.541 1.716 0 C-N-CA 124.119 0.866 . . . . 0.0 114.619 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -78.42 -30.87 47.89 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.336 -1.096 . . . . 0.0 110.907 173.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.49 -39.3 24.97 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.559 1.544 . . . . 0.0 113.276 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 tp -56.78 -43.72 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.419 0.687 . . . . 0.0 110.853 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.17 -44.81 94.75 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.765 1.626 . . . . 0.0 112.308 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.39 -51.52 69.57 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.453 0.701 . . . . 0.0 111.813 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.288 4.0 pp -73.56 -24.95 60.17 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 176.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 21.5 m -63.1 -41.23 99.34 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.996 0.817 . . . . 0.0 110.251 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.06 -38.93 69.37 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.402 0.681 . . . . 0.0 112.369 174.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.6 -18.96 65.65 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.0 mt -116.18 9.86 14.77 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.218 1.807 . . . . 0.0 112.267 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -59.07 -27.26 65.36 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.659 1.183 . . . . 0.0 113.539 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 70.0 p -98.28 -7.61 28.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.679 1.592 . . . . 0.0 114.556 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -74.94 143.24 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.13 0.972 . . . . 0.0 111.195 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 57.8 m -54.25 129.45 35.21 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.061 1.745 . . . . 0.0 112.424 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.64 -33.72 73.22 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.331 1.052 . . . . 0.0 113.748 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . 0.451 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.4 pt? -82.02 -4.14 56.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.371 1.469 . . . . 0.0 114.517 175.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -112.79 -6.34 13.85 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.005 1.322 . . . . 0.0 112.515 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 tp -52.43 -45.34 65.92 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.204 1.402 . . . . 0.0 111.27 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.73 -15.67 63.58 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -102.0 -36.53 8.56 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.67 1.188 . . . . 0.0 112.343 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -66.67 -51.16 59.26 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.705 1.202 . . . . 0.0 111.87 174.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.08 -25.76 68.25 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.692 1.197 . . . . 0.0 112.879 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.32 -34.21 70.35 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.08 0.952 . . . . 0.0 111.369 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -70.07 -37.72 75.55 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.275 1.03 . . . . 0.0 111.422 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.7 mt -64.19 -49.84 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.02 0.928 . . . . 0.0 109.269 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.65 -42.04 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.316 0.647 . . . . 0.0 111.128 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.48 -27.29 68.39 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.03 -1.044 . . . . 0.0 113.772 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.87 -31.18 31.65 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.23 0.923 . . . . 0.0 112.404 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.69 -40.98 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.503 1.121 . . . . 0.0 110.114 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.67 -17.72 63.23 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -81.1 -13.06 59.09 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -91.56 152.25 43.3 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.595 1.158 . . . . 0.0 111.356 -175.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 128.33 11.94 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.499 2.132 . . . . 0.0 111.344 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 pp -157.73 169.04 25.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.983 1.713 . . . . 0.0 111.788 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -135.48 7.98 3.34 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.847 1.259 . . . . 0.0 113.473 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -151.16 169.61 21.46 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.857 1.663 . . . . 0.0 111.133 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -85.19 2.67 42.71 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 16.9 ttm -84.09 127.13 33.7 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.146 -0.971 . . . . 0.0 110.957 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 34.6 mm -115.07 110.78 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.354 1.062 . . . . 0.0 110.489 -173.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -86.51 166.41 15.49 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.588 1.155 . . . . 0.0 113.324 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -57.2 -41.49 79.49 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.977 0.911 . . . . 0.0 112.378 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -58.89 -35.14 72.51 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.971 0.908 . . . . 0.0 113.03 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.45 -43.91 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.934 0.894 . . . . 0.0 111.054 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.29 -37.79 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.551 -0.718 . . . . 0.0 112.085 175.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -58.57 -23.51 58.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.991 1.316 . . . . 0.0 112.843 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.71 -34.83 10.76 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.617 1.567 . . . . 0.0 112.723 173.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.37 -36.71 85.04 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.138 -0.976 . . . . 0.0 113.296 176.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.7 p -61.47 -31.0 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.669 0.788 . . . . 0.0 112.513 176.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -69.17 -26.32 64.8 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.149 1.38 . . . . 0.0 112.77 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -96.47 -9.13 30.41 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.889 1.676 . . . . 0.0 112.975 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 63.6 p -126.14 4.44 7.14 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -173.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.102 1.761 . . . . 0.0 112.237 177.39 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 40.7 ttp . . . . . 0 C--O 1.239 0.508 0 CA-C-O 121.593 0.711 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.5 144.67 42.08 Favored Pre-proline 0 CA--C 1.55 0.981 0 C-N-CA 125.699 1.6 . . . . 0.0 113.669 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -67.99 -30.98 31.65 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.059 2.506 . . . . 0.0 112.86 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.82 -39.47 93.63 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.172 0.989 . . . . 0.0 111.699 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -71.14 -34.79 71.34 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.836 1.254 . . . . 0.0 112.846 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 26.0 tp -71.12 -44.06 66.38 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.44 1.496 . . . . 0.0 111.173 175.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -65.42 -44.26 87.97 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.585 1.554 . . . . 0.0 112.736 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 82.7 p 50.27 2.29 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 119.33 3.085 . . . . 0.0 119.33 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -58.75 -35.61 73.02 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.062 1.301 . . . . 0.0 113.442 -175.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.76 -55.54 6.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.352 0.661 . . . . 0.0 112.311 175.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.01 -46.27 88.43 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -174.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 78.3 p -60.59 -35.29 75.73 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.0 85.77 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.899 0.772 . . . . 0.0 112.526 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -65.81 -42.33 90.79 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.424 0.69 . . . . 0.0 110.976 174.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.22 -35.93 78.55 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 176.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.18 -31.52 72.04 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.088 0.858 . . . . 0.0 112.487 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -84.84 -12.4 53.62 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.673 1.189 . . . . 0.0 113.371 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.89 1.75 52.17 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.83 1.681 . . . . 0.0 114.253 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.07 163.48 17.89 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.929 1.291 . . . . 0.0 112.51 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -131.27 82.78 2.06 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.628 1.971 . . . . 0.0 109.937 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.16 121.95 11.95 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.632 1.573 . . . . 0.0 110.906 174.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -71.68 164.38 26.04 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.34 1.056 . . . . 0.0 112.851 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.53 -36.83 93.64 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.017 0.818 . . . . 0.0 114.115 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.46 -31.0 66.66 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.339 -1.095 . . . . 0.0 111.219 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.3 -44.7 35.75 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.768 1.227 . . . . 0.0 112.97 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -45.59 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.593 0.633 . . . . 0.0 109.315 174.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -58.11 -37.58 74.83 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.231 1.013 . . . . 0.0 113.096 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.25 -56.01 20.16 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.498 0.59 . . . . 0.0 112.342 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.273 3.8 pp -68.25 -22.9 64.74 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.4 m -59.61 -35.4 74.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.631 1.172 . . . . 0.0 111.542 173.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -77.39 -34.13 54.98 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.959 0.799 . . . . 0.0 112.545 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.52 -31.01 67.93 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -105.87 12.21 30.97 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.679 1.992 . . . . 0.0 111.663 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.34 -28.36 42.24 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.048 1.739 . . . . 0.0 114.94 -174.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 42.7 m -120.09 8.06 10.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.84 1.256 . . . . 0.0 113.339 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mm -70.39 142.51 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.198 0.999 . . . . 0.0 111.141 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 17.1 m -55.19 127.13 27.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.599 1.56 . . . . 0.0 111.787 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.02 -29.22 67.1 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -174.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.88 -32.01 51.64 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.368 1.067 . . . . 0.0 111.646 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -90.04 -6.44 55.54 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.139 2.176 . . . . 0.0 111.807 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.97 -39.67 92.95 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.597 1.159 . . . . 0.0 112.513 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.35 -39.95 77.83 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 175.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -68.21 -37.06 80.47 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.069 0.947 . . . . 0.0 112.415 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -63.89 -53.02 56.96 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.147 1.379 . . . . 0.0 111.047 174.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.79 -20.98 66.67 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.74 0.816 . . . . 0.0 112.913 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.43 -26.76 68.88 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.941 -1.099 . . . . 0.0 111.68 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.05 -40.3 87.1 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.662 -0.649 . . . . 0.0 110.631 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 48.9 mt -61.56 -50.29 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.532 1.133 . . . . 0.0 109.257 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 79.9 mt -54.01 -47.69 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.451 0.7 . . . . 0.0 111.208 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -64.37 -21.79 66.74 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.26 -15.0 21.01 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.135 1.374 . . . . 0.0 112.987 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 39.3 t -84.01 -40.23 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.67 1.588 . . . . 0.0 108.641 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.01 -23.36 66.55 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -87.68 -7.73 57.04 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -82.4 151.03 64.99 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.04 0.936 . . . . 0.0 110.641 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.42 118.92 5.54 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.308 2.006 . . . . 0.0 111.44 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.24 165.31 36.67 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.559 1.543 . . . . 0.0 112.129 176.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 51.8 m -132.83 17.71 4.22 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.774 1.63 . . . . 0.0 112.868 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 21.5 t -148.15 168.8 21.51 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.386 1.874 . . . . 0.0 110.512 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -102.5 2.77 36.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.256 1.022 . . . . 0.0 113.067 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 53.5 mmm -79.44 125.21 29.25 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.668 0.787 . . . . 0.0 110.157 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -108.88 92.99 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.866 0.867 . . . . 0.0 109.39 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.7 162.49 27.64 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.293 1.437 . . . . 0.0 113.246 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -53.89 -46.31 71.33 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.979 0.912 . . . . 0.0 112.287 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 12.4 m -62.76 -24.35 67.67 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.759 0.823 . . . . 0.0 113.064 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.94 -40.51 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.471 1.109 . . . . 0.0 110.538 173.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.45 -37.96 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.229 1.012 . . . . 0.0 111.675 174.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -59.59 -17.57 34.05 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.914 1.286 . . . . 0.0 113.914 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.23 -26.62 13.58 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.285 1.434 . . . . 0.0 112.373 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.56 -37.52 65.51 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.684 1.194 . . . . 0.0 113.365 174.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.65 -27.76 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.449 1.1 . . . . 0.0 112.862 175.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -65.82 -20.25 66.18 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.624 1.57 . . . . 0.0 113.29 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -111.35 -8.58 14.32 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.331 1.452 . . . . 0.0 112.367 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 15.1 m -101.08 -12.52 18.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.895 1.278 . . . . 0.0 114.431 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.359 1.864 . . . . 0.0 112.271 -175.879 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 1.1 tpt . . . . . 0 CA--C 1.542 0.654 0 CA-C-O 122.563 1.173 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.04 160.4 11.48 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 125.507 1.523 . . . . 0.0 112.899 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.4 -35.98 37.33 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 124.447 3.431 . . . . 0.0 115.797 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.7 -27.98 62.4 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -80.86 -46.31 15.48 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.919 0.888 . . . . 0.0 111.602 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.14 -19.45 64.81 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -174.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -73.49 -76.29 0.13 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.502 1.121 . . . . 0.0 111.261 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 59.1 m 38.14 34.08 0.06 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 127.845 2.458 . . . . 0.0 116.619 175.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -60.77 -50.58 72.89 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 120.459 -1.4 . . . . 0.0 113.735 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.29 82.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.194 0.998 . . . . 0.0 112.465 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -40.93 98.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.66 1.184 . . . . 0.0 111.945 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 60.9 m -61.01 -34.86 75.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.387 1.075 . . . . 0.0 112.853 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.47 85.48 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.283 0.947 . . . . 0.0 112.568 175.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.99 -45.87 93.03 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.627 -0.671 . . . . 0.0 110.359 174.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.63 -42.88 79.61 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.634 1.574 . . . . 0.0 113.523 174.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 49.4 mt -64.03 -36.27 83.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.318 1.047 . . . . 0.0 113.239 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -77.67 -14.42 59.63 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.12 5.44 25.06 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.502 1.525 . . . . 0.0 115.198 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.48 166.28 11.94 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.173 1.389 . . . . 0.0 112.645 -175.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.7 mt -128.18 76.25 1.68 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.554 1.942 . . . . 0.0 110.042 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 29.1 tp -56.53 116.4 3.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.329 1.451 . . . . 0.0 111.164 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -69.08 160.96 30.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.394 1.078 . . . . 0.0 112.699 -176.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.69 -28.0 69.18 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.097 0.855 . . . . 0.0 114.423 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.95 -27.34 60.15 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.559 -0.965 . . . . 0.0 112.099 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.05 -39.1 13.13 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.161 1.384 . . . . 0.0 112.555 -176.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.01 -41.61 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.75 0.704 . . . . 0.0 110.231 173.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -65.93 -34.37 77.97 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.112 1.365 . . . . 0.0 112.764 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -65.05 -54.32 32.0 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.412 0.551 . . . . 0.0 111.897 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.285 1.9 pp -76.82 -20.33 56.49 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -31.7 72.7 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.118 1.326 . . . . 0.0 111.773 173.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.68 -35.62 52.09 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.538 -0.726 . . . . 0.0 112.095 173.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.81 -16.23 64.01 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 82.4 mt -124.43 15.85 8.94 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.83 2.052 . . . . 0.0 111.804 -176.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -56.76 -28.76 61.74 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.69 1.596 . . . . 0.0 114.399 -174.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 35.6 m -116.22 5.55 13.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.761 1.224 . . . . 0.0 113.698 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -71.21 142.95 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.422 1.089 . . . . 0.0 110.769 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 23.4 m -54.61 128.78 33.89 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.272 1.829 . . . . 0.0 112.741 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.19 -34.29 73.42 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . 0.435 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.5 pt? -80.42 -3.6 50.41 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.707 1.203 . . . . 0.0 113.554 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -119.05 -3.17 10.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.343 1.857 . . . . 0.0 112.996 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 tp -57.86 -45.66 85.96 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.389 0.995 . . . . 0.0 111.922 -174.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.84 -34.19 69.08 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.34 -39.48 78.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.563 0.745 . . . . 0.0 112.045 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -66.34 -51.74 54.17 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 111.336 174.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.47 -18.47 63.81 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.275 1.43 . . . . 0.0 113.245 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -58.78 -33.43 70.31 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.254 -0.904 . . . . 0.0 111.018 174.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.91 -38.43 91.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.678 0.791 . . . . 0.0 111.294 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.87 -52.86 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.407 1.083 . . . . 0.0 108.822 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 82.4 mt -57.07 -43.98 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.886 0.766 . . . . 0.0 110.991 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.93 -21.75 66.88 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.03 -32.34 15.94 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.397 1.079 . . . . 0.0 112.043 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.2 -39.62 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.766 1.227 . . . . 0.0 110.033 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.3 -4.0 3.38 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.729 1.612 . . . . 0.0 114.955 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.35 10.1 17.03 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.062 1.745 . . . . 0.0 113.599 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -107.28 156.15 38.16 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.691 1.596 . . . . 0.0 112.009 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.98 124.29 9.51 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.216 2.61 . . . . 0.0 111.744 175.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -158.37 166.71 31.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.989 1.716 . . . . 0.0 111.441 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -128.93 9.33 5.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.861 1.264 . . . . 0.0 113.893 -174.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 83.2 p -150.23 176.79 10.54 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.068 1.747 . . . . 0.0 111.083 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -87.9 4.63 44.03 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.565 -0.709 . . . . 0.0 112.562 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 16.3 mtp -87.38 131.86 34.15 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.474 -0.766 . . . . 0.0 110.383 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 29.1 mm -113.78 103.98 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.821 0.849 . . . . 0.0 110.528 -173.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.69 169.9 17.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.374 1.47 . . . . 0.0 113.854 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -60.5 -41.66 94.77 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.174 0.99 . . . . 0.0 112.754 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 10.6 p -65.48 -23.97 67.04 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 84.4 t -77.28 -44.52 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.99 0.916 . . . . 0.0 111.069 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.09 -28.8 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 O-C-N 120.946 -1.097 . . . . 0.0 112.829 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -59.61 -25.15 64.41 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.92 1.288 . . . . 0.0 113.403 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.39 -33.66 10.96 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.246 1.418 . . . . 0.0 112.712 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.02 -34.18 77.17 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.011 -1.055 . . . . 0.0 113.287 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.16 -30.3 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.323 -0.861 . . . . 0.0 112.699 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -66.49 -39.72 88.9 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.442 1.097 . . . . 0.0 111.568 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.98 -26.29 59.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.195 1.798 . . . . 0.0 112.372 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m -93.73 -9.46 37.61 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.255 1.348 0 C-N-CA 126.423 1.889 . . . . 0.0 113.465 -176.594 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.539 0.52 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.7 142.18 88.26 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.64 1.176 . . . . 0.0 110.27 173.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -43.97 -51.14 6.8 Favored 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 124.849 3.699 . . . . 0.0 116.394 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -72.54 -35.04 67.94 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.686 -1.259 . . . . 0.0 113.041 -176.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 54.4 ttp85 -68.05 -40.31 82.83 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.406 1.082 . . . . 0.0 111.588 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 tp -65.41 -46.25 80.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.775 2.03 . . . . 0.0 111.345 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -60.52 -45.11 95.03 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.27 1.028 . . . . 0.0 112.267 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 25.9 t -59.0 -47.64 84.45 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.223 0.609 . . . . 0.0 112.005 174.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.67 -29.44 69.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.597 1.159 . . . . 0.0 113.697 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.48 -44.01 25.63 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.331 1.052 . . . . 0.0 113.405 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.88 -40.52 95.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.962 0.905 . . . . 0.0 112.595 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 92.1 p -62.47 -33.6 75.15 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.72 92.6 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.878 0.871 . . . . 0.0 112.411 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -66.95 -44.03 81.64 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.538 -0.726 . . . . 0.0 110.655 173.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -57.45 -49.53 75.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.155 1.382 . . . . 0.0 113.098 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 pp -68.38 -26.88 65.78 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -79.14 -12.45 59.99 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.808 1.243 . . . . 0.0 113.171 174.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.12 5.02 35.44 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.849 1.69 . . . . 0.0 115.289 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.2 164.62 12.24 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.519 1.528 . . . . 0.0 112.893 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.2 mt -128.74 81.74 2.04 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.645 1.978 . . . . 0.0 110.283 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 25.2 tp -60.14 121.98 13.27 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.472 1.509 . . . . 0.0 111.357 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -74.97 166.86 22.99 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.502 1.121 . . . . 0.0 113.308 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.2 -22.0 74.19 Favored Glycine 0 CA--C 1.538 1.482 0 N-CA-C 115.707 1.043 . . . . 0.0 115.707 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -89.74 -30.07 18.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.325 1.562 . . . . 0.0 110.15 172.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.98 80.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.519 1.128 . . . . 0.0 111.97 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.2 tp -58.74 -43.52 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.925 0.89 . . . . 0.0 111.263 174.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -64.82 -35.25 80.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.392 1.477 . . . . 0.0 112.867 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -64.17 -51.39 64.05 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.923 0.489 . . . . 0.0 111.85 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.261 3.3 pp -79.83 -15.03 58.2 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -54.19 -52.24 61.82 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.856 1.262 . . . . 0.0 110.877 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.24 -21.98 52.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.37 -16.57 60.37 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.439 1.095 . . . . 0.0 113.566 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 98.2 mt -123.93 -2.93 8.19 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.323 1.449 . . . . 0.0 114.113 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -59.34 -30.46 68.4 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.011 -1.056 . . . . 0.0 113.499 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 75.5 p -85.99 -10.38 55.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.955 1.302 . . . . 0.0 114.446 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.95 139.02 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.895 0.878 . . . . 0.0 111.571 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -57.16 123.37 15.05 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.175 1.79 . . . . 0.0 112.225 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.7 -25.95 65.2 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 pp -84.96 -0.18 53.41 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.69 1.596 . . . . 0.0 113.221 177.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.18 -4.93 5.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.929 2.491 . . . . 0.0 112.403 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.53 -39.69 91.96 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.037 1.735 . . . . 0.0 112.192 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.48 -40.01 81.14 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.61 -37.14 84.25 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.412 -0.805 . . . . 0.0 112.355 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -65.57 -54.46 27.64 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.27 1.028 . . . . 0.0 111.78 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.26 -29.12 70.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.737 1.215 . . . . 0.0 111.751 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.92 -29.33 69.54 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.182 -0.948 . . . . 0.0 112.094 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -68.7 -36.66 78.76 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.362 -0.836 . . . . 0.0 110.947 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 37.1 mt -64.2 -50.71 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.261 1.024 . . . . 0.0 108.931 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 73.4 mt -58.55 -43.02 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.91 0.777 . . . . 0.0 110.892 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -62.53 -26.12 68.4 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.43 -30.13 25.57 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.149 0.886 . . . . 0.0 111.868 175.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.23 -39.6 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.587 1.155 . . . . 0.0 109.426 172.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -62.4 -17.16 58.48 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.179 1.392 . . . . 0.0 114.655 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -79.63 -18.11 52.27 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -89.1 145.84 35.17 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 124.333 1.053 . . . . 0.0 111.678 -174.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.67 136.65 19.34 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.353 2.036 . . . . 0.0 111.149 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.06 167.19 26.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.711 1.604 . . . . 0.0 111.844 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 42.2 m -126.29 7.26 7.1 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.934 1.294 . . . . 0.0 113.6 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 85.5 p -150.18 173.14 14.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.292 1.837 . . . . 0.0 110.809 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -89.79 7.43 37.0 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.246 -0.909 . . . . 0.0 113.321 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.9 mtp -86.48 129.57 34.81 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.385 -0.822 . . . . 0.0 110.914 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 30.7 mm -113.73 98.48 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.69 1.196 . . . . 0.0 109.979 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.5 168.31 20.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.216 1.006 . . . . 0.0 113.381 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -50.17 -48.86 53.79 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.992 0.917 . . . . 0.0 111.816 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -57.01 -30.14 63.92 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.264 1.025 . . . . 0.0 112.918 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.2 t -76.01 -45.28 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.831 1.252 . . . . 0.0 111.426 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.72 -39.01 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.991 0.917 . . . . 0.0 112.147 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.29 -21.04 61.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.543 1.937 . . . . 0.0 113.068 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.78 -32.26 11.12 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.115 1.766 . . . . 0.0 112.532 173.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.68 75.44 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.037 -1.039 . . . . 0.0 113.48 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.67 -28.82 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.28 -0.888 . . . . 0.0 112.701 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -68.45 -20.41 64.63 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.624 1.57 . . . . 0.0 113.038 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -108.33 -8.59 15.62 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.369 1.868 . . . . 0.0 113.021 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 68.4 p -126.84 2.69 6.66 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -173.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.113 1.765 . . . . 0.0 112.457 176.263 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 CA--C 1.54 0.561 0 CA-C-O 121.826 0.822 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -157.29 165.51 18.63 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 126.542 1.937 . . . . 0.0 110.373 -176.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -50.32 -34.91 42.34 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.972 3.115 . . . . 0.0 115.106 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.66 -33.04 74.96 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.733 0.813 . . . . 0.0 112.627 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -79.34 -32.71 43.35 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.28 -0.887 . . . . 0.0 111.567 174.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.57 -34.71 78.5 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.792 0.724 . . . . 0.0 110.34 172.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -69.46 -38.26 77.67 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.86 1.264 . . . . 0.0 110.701 172.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -66.62 -34.56 78.16 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.124 0.97 . . . . 0.0 113.295 174.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -56.96 -35.82 69.57 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.645 1.178 . . . . 0.0 111.948 174.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.64 -54.48 6.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.589 0.756 . . . . 0.0 112.128 174.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.94 -44.4 96.84 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 78.4 p -60.09 -34.38 73.39 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.33 76.72 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.151 0.887 . . . . 0.0 112.028 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.48 -43.64 98.51 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.343 0.519 . . . . 0.0 110.94 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -60.32 -40.44 90.63 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.79 1.236 . . . . 0.0 113.395 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.26 -36.06 82.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.234 1.014 . . . . 0.0 112.728 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -80.33 -13.93 58.78 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 175.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.16 9.82 29.0 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.675 1.607 . . . . 0.0 115.563 174.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.26 164.84 12.49 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.284 1.434 . . . . 0.0 113.159 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -127.56 76.28 1.66 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.995 2.118 . . . . 0.0 109.797 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.16 120.32 8.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.536 1.535 . . . . 0.0 111.814 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -72.78 165.42 24.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.775 1.23 . . . . 0.0 113.019 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.87 -35.0 91.39 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.085 0.85 . . . . 0.0 114.774 -177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.27 -32.36 62.89 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.818 1.309 . . . . 0.0 111.246 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.41 -43.3 60.75 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.23 1.012 . . . . 0.0 113.009 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -44.13 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.62 0.645 . . . . 0.0 109.551 174.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -59.99 -42.8 95.02 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.636 1.174 . . . . 0.0 111.892 174.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . 0.453 ' HH ' HG13 ' M' ' 95' ' ' VAL . 75.4 t80 -58.67 -52.59 65.03 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.625 0.77 . . . . 0.0 111.873 178.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.267 3.0 pp -72.85 -24.04 60.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 177.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -64.44 -41.08 96.77 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.097 0.959 . . . . 0.0 111.297 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -67.53 -35.12 78.48 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.569 -0.707 . . . . 0.0 112.452 174.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.29 71.72 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.949 0.9 . . . . 0.0 113.221 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.23 5.7 50.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.652 1.581 . . . . 0.0 112.945 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -52.61 -31.39 36.22 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.485 1.514 . . . . 0.0 113.723 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 32.9 m -110.62 3.92 19.76 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.801 1.24 . . . . 0.0 113.645 -177.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -75.06 141.8 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.214 1.006 . . . . 0.0 110.649 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 24.6 m -55.48 126.61 25.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.101 1.76 . . . . 0.0 112.3 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.74 -37.19 75.65 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . 0.414 ' H ' HD22 ' M' ' 63' ' ' LEU . 2.5 pt? -77.25 -5.0 47.69 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.936 1.295 . . . . 0.0 113.98 176.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -117.3 0.07 12.15 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.873 2.069 . . . . 0.0 112.228 176.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 43.6 tp -61.66 -41.33 97.4 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.275 1.43 . . . . 0.0 111.818 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.78 -45.24 68.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.368 0.667 . . . . 0.0 111.775 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.61 -34.45 77.04 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.479 -0.763 . . . . 0.0 112.377 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -68.2 -56.4 8.85 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.966 1.306 . . . . 0.0 110.412 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.67 -24.48 67.8 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.8 0.84 . . . . 0.0 113.175 -176.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.02 -34.0 72.77 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.417 -0.802 . . . . 0.0 111.219 174.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -71.01 -33.5 70.42 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.914 0.886 . . . . 0.0 111.224 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 44.0 mt -63.88 -51.39 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.23 -42.39 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.123 0.569 . . . . 0.0 110.959 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.23 -24.21 67.77 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 175.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.66 -26.75 21.7 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.417 1.087 . . . . 0.0 112.343 174.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.14 -41.1 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.882 1.273 . . . . 0.0 109.512 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -65.03 -6.16 8.06 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.289 1.836 . . . . 0.0 115.873 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -117.45 4.02 12.48 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -87.19 154.82 54.85 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.754 1.222 . . . . 0.0 111.37 174.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.18 129.02 12.67 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.665 2.243 . . . . 0.0 111.707 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.75 168.84 24.96 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.099 1.759 . . . . 0.0 111.802 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.1 p -126.31 3.39 7.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.563 1.545 . . . . 0.0 114.208 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 75.8 p -148.81 176.9 10.0 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.327 1.851 . . . . 0.0 111.159 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -90.91 7.46 39.99 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.594 -0.691 . . . . 0.0 112.593 176.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 12.5 mtp -86.49 129.55 34.82 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 121.496 -0.753 . . . . 0.0 110.378 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 32.1 mm -112.86 101.39 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.855 0.862 . . . . 0.0 110.465 -173.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -78.88 170.49 16.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.94 1.296 . . . . 0.0 113.568 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -51.79 -49.0 63.56 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.111 0.964 . . . . 0.0 111.617 175.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -58.3 -26.2 62.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.671 0.788 . . . . 0.0 112.877 -176.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 67.1 t -79.47 -46.63 22.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.511 1.124 . . . . 0.0 111.852 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 18.6 m -68.39 -30.04 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 121.045 -1.034 . . . . 0.0 113.535 174.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -62.47 -21.45 65.47 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.766 1.626 . . . . 0.0 113.046 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.59 -32.06 9.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.632 1.573 . . . . 0.0 112.274 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.22 82.75 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.159 -0.963 . . . . 0.0 113.228 175.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . 0.453 HG13 ' HH ' ' M' ' 52' ' ' TYR . 7.8 p -60.55 -33.17 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.649 -0.657 . . . . 0.0 112.488 176.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -71.78 -24.3 61.72 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.787 1.635 . . . . 0.0 112.547 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -93.09 -9.25 40.25 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.807 1.643 . . . . 0.0 113.012 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 68.2 p -126.34 7.98 7.12 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -173.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.244 1.818 . . . . 0.0 112.744 178.282 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 10.7 tpt . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 120.678 0.275 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.19 125.63 12.5 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.082 1.353 . . . . 0.0 110.676 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.14 -33.15 52.68 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.956 3.104 . . . . 0.0 114.685 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.89 -23.48 61.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.362 1.065 . . . . 0.0 113.701 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -75.47 -15.73 60.39 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 174.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 pp -133.8 -16.96 2.23 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 -173.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -67.47 -55.19 14.6 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.303 1.411 . . . . 0.0 112.386 -175.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 87.5 p -64.48 -34.51 78.38 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.707 0.403 . . . . 0.0 112.085 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -60.03 -52.97 63.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.498 1.119 . . . . 0.0 110.634 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.28 99.55 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -44.31 97.45 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.886 -0.509 . . . . 0.0 111.444 174.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 33.7 p -64.34 -33.16 75.2 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.96 96.52 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.033 0.933 . . . . 0.0 112.0 174.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.75 -45.02 91.73 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.805 -0.559 . . . . 0.0 110.573 173.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.48 -47.89 84.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.73 -26.06 65.96 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.106 0.867 . . . . 0.0 113.32 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 74.8 mmt-85 -77.43 -12.3 59.94 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.898 1.279 . . . . 0.0 113.036 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.69 4.89 26.25 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.633 1.587 . . . . 0.0 115.67 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -100.8 169.91 8.68 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.205 1.402 . . . . 0.0 112.842 -174.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 97.0 mt -129.62 78.01 1.82 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.076 1.75 . . . . 0.0 109.721 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.4 tp -56.57 117.34 3.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.116 1.366 . . . . 0.0 111.47 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -70.87 161.61 30.71 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.526 1.13 . . . . 0.0 112.241 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.38 -29.55 73.62 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 123.863 0.744 . . . . 0.0 113.923 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -22.9 60.84 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.413 -1.051 . . . . 0.0 112.908 174.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.35 -38.59 10.91 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.067 1.347 . . . . 0.0 112.691 -178.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.3 tp -60.82 -39.88 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.267 -0.895 . . . . 0.0 111.429 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -69.28 -21.19 63.9 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . 0.491 ' HH ' HG13 ' M' ' 95' ' ' VAL . 72.6 t80 -76.12 -55.52 5.51 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.81 0.844 . . . . 0.0 110.695 174.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 pp -78.52 -19.47 52.87 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 6.4 t -61.27 -35.91 78.59 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.584 1.084 . . . . 0.0 111.916 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.81 -35.44 51.34 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.112 -0.993 . . . . 0.0 112.239 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.33 -17.46 64.78 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.1 mt -107.56 -4.9 17.9 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.601 1.561 . . . . 0.0 113.072 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.42 -29.72 69.17 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.24 1.016 . . . . 0.0 112.22 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 76.8 p -81.51 3.85 23.35 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.641 1.576 . . . . 0.0 114.43 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mm -116.49 144.07 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.924 1.69 . . . . 0.0 111.208 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 42.4 m -54.82 127.33 28.03 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.348 1.859 . . . . 0.0 112.112 174.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.29 -30.24 68.18 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . 0.454 HD22 ' H ' ' M' ' 63' ' ' LEU . 2.1 pt? -83.21 -2.06 54.61 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.097 1.359 . . . . 0.0 114.438 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.41 2.99 11.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.469 1.907 . . . . 0.0 111.96 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -56.78 -44.38 81.81 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.619 1.968 . . . . 0.0 112.483 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -68.0 -45.28 74.52 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.977 0.511 . . . . 0.0 112.052 -176.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -64.84 -34.22 77.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.44 0.696 . . . . 0.0 112.305 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -68.49 -54.34 17.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.073 0.949 . . . . 0.0 111.464 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.56 -25.16 67.13 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.174 1.39 . . . . 0.0 113.073 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.44 -33.13 70.89 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.666 0.787 . . . . 0.0 111.314 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -73.71 -32.51 63.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.465 1.106 . . . . 0.0 111.604 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.9 -52.22 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.01 -42.0 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.613 -0.68 . . . . 0.0 111.108 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -61.42 -26.51 67.91 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.61 -33.11 23.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.561 0.744 . . . . 0.0 111.911 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 67.4 t -64.0 -41.97 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.648 1.179 . . . . 0.0 110.559 173.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.01 -6.52 8.82 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.98 1.712 . . . . 0.0 115.541 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -120.73 2.86 10.63 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -79.65 154.94 76.16 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 123.603 0.761 . . . . 0.0 109.866 173.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.44 113.92 3.91 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.353 2.035 . . . . 0.0 111.805 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.71 166.65 32.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.752 1.621 . . . . 0.0 111.966 176.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -131.14 17.1 5.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.366 1.466 . . . . 0.0 112.829 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 20.5 t -149.31 170.99 17.24 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.38 1.872 . . . . 0.0 110.401 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -99.93 2.24 43.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.872 0.869 . . . . 0.0 112.937 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.8 mtp -80.74 131.96 35.49 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.385 -0.822 . . . . 0.0 110.443 176.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.6 mm -114.71 104.15 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.922 0.889 . . . . 0.0 110.754 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -79.84 170.08 17.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.737 1.615 . . . . 0.0 113.737 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -53.55 -49.7 67.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.628 0.771 . . . . 0.0 112.06 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 15.2 m -59.02 -24.97 63.27 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.969 0.908 . . . . 0.0 113.193 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.67 -45.88 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.274 1.03 . . . . 0.0 112.043 175.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 23.9 m -69.51 -32.54 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 CA-C-N 119.796 1.18 . . . . 0.0 112.975 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.1 -21.9 66.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.947 1.699 . . . . 0.0 112.888 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.13 -31.07 11.23 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.61 1.564 . . . . 0.0 113.041 174.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.67 87.72 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.288 -0.882 . . . . 0.0 113.221 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . 0.491 HG13 ' HH ' ' M' ' 52' ' ' TYR . 9.6 p -58.98 -26.93 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 178.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -66.28 -12.06 54.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.293 1.837 . . . . 0.0 113.454 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -117.64 -22.65 7.97 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.118 1.367 . . . . 0.0 113.255 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 98.5 p -80.0 -16.31 55.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.899 1.68 . . . . 0.0 112.315 -174.215 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 CA--C 1.544 0.722 0 CA-C-O 122.799 1.285 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.35 159.5 15.96 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 126.195 1.798 . . . . 0.0 113.555 174.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -48.62 -36.66 32.7 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.888 3.725 . . . . 0.0 115.497 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.82 -34.16 75.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.787 0.835 . . . . 0.0 112.7 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -77.84 -40.36 40.56 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.797 0.839 . . . . 0.0 111.142 174.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 66.4 mt -57.74 -39.43 77.31 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.343 1.057 . . . . 0.0 111.249 174.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -58.55 -49.61 76.81 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.445 1.498 . . . . 0.0 111.976 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 45.2 m -69.39 -39.83 77.74 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -62.86 -46.0 89.91 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.402 0.681 . . . . 0.0 111.746 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.4 -39.91 80.97 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.522 1.529 . . . . 0.0 113.478 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.3 -36.93 74.07 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.53 1.132 . . . . 0.0 112.693 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 54.2 p -57.95 -34.83 70.34 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.66 69.13 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.41 -0.806 . . . . 0.0 112.217 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -64.66 -40.85 96.14 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.318 0.647 . . . . 0.0 110.744 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -60.02 -44.55 94.54 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.119 1.368 . . . . 0.0 112.42 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 43.1 mt -60.59 -36.46 78.6 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.133 0.973 . . . . 0.0 113.061 176.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -79.92 -7.12 58.58 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 175.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.45 11.97 57.68 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.211 1.386 . . . . 0.0 114.825 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.96 160.48 23.33 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.55 1.175 . . . . 0.0 111.901 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 98.0 mt -124.33 50.58 1.67 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.209 2.204 . . . . 0.0 109.758 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 50.3 tp -47.39 120.98 3.53 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.399 1.88 . . . . 0.0 112.219 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -60.95 156.08 18.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.984 1.314 . . . . 0.0 112.918 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.86 -26.43 72.2 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.208 0.909 . . . . 0.0 114.725 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -75.67 -33.46 60.41 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.278 1.039 . . . . 0.0 110.889 173.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.01 -41.54 35.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.843 1.257 . . . . 0.0 112.462 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 11.2 tp -63.36 -39.1 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-O 121.198 0.523 . . . . 0.0 111.081 174.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.27 -42.28 99.1 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.154 1.382 . . . . 0.0 111.473 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -58.13 -49.98 75.1 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.395 0.543 . . . . 0.0 111.971 176.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.27 2.9 pp -74.14 -20.31 60.27 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -34.89 79.32 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 120.665 1.575 . . . . 0.0 111.607 174.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.21 -33.55 70.02 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.586 -0.696 . . . . 0.0 112.008 174.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.83 -10.67 60.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.438 1.095 . . . . 0.0 113.67 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.5 mt -125.36 13.27 8.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.869 2.068 . . . . 0.0 112.211 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -53.53 -25.71 18.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.732 2.013 . . . . 0.0 115.192 -174.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -124.96 10.64 8.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.653 1.181 . . . . 0.0 113.243 -177.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mm -72.26 141.05 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.69 0.796 . . . . 0.0 111.02 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 10.4 m -56.01 130.46 43.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.898 1.679 . . . . 0.0 112.629 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.68 -31.32 62.3 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -174.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 pp -96.94 -7.05 34.17 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.515 1.126 . . . . 0.0 113.393 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -101.26 -12.97 18.28 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.449 1.5 . . . . 0.0 112.397 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 tp -54.39 -43.81 71.74 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.271 1.828 . . . . 0.0 112.181 -174.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -71.91 -25.69 62.01 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -85.82 -36.74 19.85 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.542 1.137 . . . . 0.0 111.433 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -63.2 -54.41 37.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.031 1.332 . . . . 0.0 111.286 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.85 -22.88 66.57 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.635 0.774 . . . . 0.0 112.925 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.61 -28.41 69.34 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.172 -0.955 . . . . 0.0 111.207 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.48 -37.19 79.91 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.543 -0.723 . . . . 0.0 111.1 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.59 -51.55 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.128 0.971 . . . . 0.0 108.754 174.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.77 -46.76 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.97 0.908 . . . . 0.0 110.848 177.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -63.32 -28.0 69.71 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 176.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.95 -25.73 34.59 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.282 0.946 . . . . 0.0 112.335 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.99 -38.9 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.377 -0.827 . . . . 0.0 109.462 172.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.64 -28.57 70.0 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -73.52 -15.54 61.3 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -89.01 129.1 49.47 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.345 1.058 . . . . 0.0 110.26 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.66 129.16 33.51 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.925 2.417 . . . . 0.0 112.541 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 pp -153.92 168.15 27.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.229 1.412 . . . . 0.0 112.504 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 80.4 p -139.47 9.8 2.47 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.313 1.445 . . . . 0.0 113.847 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 44.5 m -157.05 163.45 39.02 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.003 1.721 . . . . 0.0 111.098 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -93.33 4.92 53.19 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.62 1.168 . . . . 0.0 113.639 -175.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 10.3 ttm -90.1 82.58 6.07 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.643 1.177 . . . . 0.0 111.303 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 23.0 mm -68.22 138.75 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.442 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -122.91 166.47 14.98 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.484 1.113 . . . . 0.0 112.666 -174.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -57.8 -40.64 80.41 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.519 -0.738 . . . . 0.0 112.182 -174.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 21.8 t -59.16 -34.93 72.69 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 85.8 t -73.38 -43.99 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.925 0.89 . . . . 0.0 111.063 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.36 -39.82 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 121.546 -0.721 . . . . 0.0 112.042 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -59.0 -15.94 15.72 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.464 1.506 . . . . 0.0 114.096 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.2 -33.51 9.16 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.558 1.543 . . . . 0.0 111.81 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.62 87.23 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.429 1.091 . . . . 0.0 113.142 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.17 -29.11 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.542 1.137 . . . . 0.0 112.78 175.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -70.92 -21.35 62.37 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.881 1.272 . . . . 0.0 112.973 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -105.69 -8.14 18.05 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.097 1.359 . . . . 0.0 112.805 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 62.8 p -122.41 2.27 9.65 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -174.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.549 1.939 . . . . 0.0 112.363 176.85 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.74 -43.64 97.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.438 0.563 . . . . 0.0 110.63 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 48.6 m -59.45 -36.93 76.86 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.39 96.59 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 38' ' ' PHE . . . . . 0.434 ' CE1' HD21 ' M' ' 69' ' ' LEU . 31.9 m-85 -69.54 -41.83 75.42 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.434 0.694 . . . . 0.0 111.168 173.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.91 -37.98 84.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.96 -24.93 66.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.53 1.132 . . . . 0.0 113.388 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -97.36 -1.37 44.65 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.553 1.541 . . . . 0.0 113.794 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.57 1.07 74.89 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 125.19 1.376 . . . . 0.0 114.752 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -85.13 167.98 15.24 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 122.889 1.328 . . . . 0.0 111.621 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.94 158.43 40.26 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 128.075 2.55 . . . . 0.0 106.975 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 33.5 tp -137.71 125.87 23.03 Favored 'General case' 0 C--O 1.238 0.466 0 O-C-N 121.673 -0.642 . . . . 0.0 111.974 -173.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -57.08 156.57 6.91 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.909 1.684 . . . . 0.0 113.82 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.1 -33.63 85.93 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 123.853 0.739 . . . . 0.0 114.318 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -73.23 -28.23 62.04 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.189 -1.183 . . . . 0.0 111.852 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.95 -43.08 20.27 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.541 1.136 . . . . 0.0 112.861 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 tp -58.8 -44.91 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.496 0.718 . . . . 0.0 110.359 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.76 -43.86 94.1 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.324 1.45 . . . . 0.0 112.028 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -58.32 -53.67 55.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.285 0.634 . . . . 0.0 111.597 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.277 4.0 pp -74.37 -24.2 59.12 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 178.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -63.2 -40.7 98.25 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.447 -0.783 . . . . 0.0 110.256 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.99 -37.05 67.16 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.557 -0.714 . . . . 0.0 112.296 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.49 65.39 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -110.49 7.47 22.67 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.155 1.782 . . . . 0.0 112.66 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -51.61 -30.0 19.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.129 1.772 . . . . 0.0 115.162 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 45.8 m -116.87 6.32 13.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.767 1.227 . . . . 0.0 113.58 -176.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.09 142.96 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.982 0.913 . . . . 0.0 110.633 174.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 22.5 m -52.9 129.46 30.32 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.009 1.723 . . . . 0.0 112.901 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.72 -32.69 67.66 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.611 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -88.03 -4.24 58.81 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.887 1.275 . . . . 0.0 113.754 177.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -114.12 -6.91 13.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.184 1.794 . . . . 0.0 112.567 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 64.5 tp -57.6 -41.95 82.26 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.837 1.655 . . . . 0.0 111.887 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.31 -46.03 71.38 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.303 0.641 . . . . 0.0 111.871 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.38 -34.53 78.54 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.183 0.993 . . . . 0.0 112.868 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -68.82 -53.93 18.7 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.02 1.328 . . . . 0.0 112.202 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 69' ' ' LEU . . . . . 0.434 HD21 ' CE1' ' M' ' 38' ' ' PHE . 6.1 tt -60.97 -26.2 67.38 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.907 1.283 . . . . 0.0 111.878 178.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.38 -26.82 68.68 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.075 -1.016 . . . . 0.0 112.318 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.97 -29.41 64.21 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.496 -0.753 . . . . 0.0 111.79 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 52.3 mt -69.13 -50.82 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.16 -43.51 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.361 0.664 . . . . 0.0 111.502 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -60.62 -25.17 66.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.7 -40.84 18.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.91 0.777 . . . . 0.0 111.387 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.85 -40.09 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.891 0.876 . . . . 0.0 111.136 173.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.0 -7.64 5.71 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -125.97 10.64 7.62 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.497 1.519 . . . . 0.0 114.033 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -99.23 154.56 37.24 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 125.392 1.477 . . . . 0.0 111.678 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.28 126.07 11.96 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.007 2.471 . . . . 0.0 111.594 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.03 167.62 29.82 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.254 1.821 . . . . 0.0 112.0 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 80.1 p -138.72 8.05 2.55 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.044 1.338 . . . . 0.0 114.179 -174.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.6 t -153.28 159.74 42.6 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.312 1.845 . . . . 0.0 110.559 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -77.83 -5.25 50.24 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.489 -0.757 . . . . 0.0 112.181 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 52.1 tpp -83.13 104.19 13.12 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.869 1.267 . . . . 0.0 110.749 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mm -80.32 143.04 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 125.316 1.446 . . . . 0.0 110.243 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -126.12 165.95 17.93 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.455 1.502 . . . . 0.0 113.226 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -54.93 -44.68 74.48 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.426 -0.796 . . . . 0.0 111.872 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 17.9 t -57.48 -33.81 68.38 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.445 0.698 . . . . 0.0 112.803 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.77 -46.71 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.883 0.873 . . . . 0.0 111.018 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.7 -38.44 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.024 0.93 . . . . 0.0 112.659 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -60.15 -21.5 61.71 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.121 1.769 . . . . 0.0 113.307 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.91 -32.75 10.06 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.91 1.684 . . . . 0.0 112.5 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.88 80.02 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.1 0.96 . . . . 0.0 113.506 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.64 -30.87 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.895 0.878 . . . . 0.0 112.746 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -62.88 -33.41 75.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.601 1.161 . . . . 0.0 112.36 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -78.43 -32.39 48.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.272 1.029 . . . . 0.0 112.133 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 24.1 p -73.54 -22.29 60.14 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.97 2.108 . . . . 0.0 113.539 -174.302 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.09 -44.93 87.27 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.732 0.413 . . . . 0.0 111.975 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -60.1 -37.26 79.45 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.42 0.688 . . . . 0.0 112.26 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.65 98.64 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.337 -0.852 . . . . 0.0 112.327 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -67.15 -42.36 84.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.289 0.636 . . . . 0.0 111.168 173.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.62 -38.79 85.88 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.507 1.123 . . . . 0.0 113.648 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 56.5 mt -60.69 -30.65 70.07 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.467 1.107 . . . . 0.0 112.59 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -87.15 -7.29 58.14 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.91 1.284 . . . . 0.0 113.452 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.3 -0.26 59.99 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.953 1.74 . . . . 0.0 114.584 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.79 165.44 16.01 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.2 1.4 . . . . 0.0 112.13 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 88.7 mt -131.93 94.56 3.51 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.984 1.714 . . . . 0.0 109.404 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.43 121.63 13.15 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.074 0.95 . . . . 0.0 110.875 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -63.93 159.98 18.67 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.074 1.35 . . . . 0.0 113.62 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.49 -31.88 81.63 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 123.896 0.76 . . . . 0.0 114.034 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -75.55 -22.7 56.83 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.065 -1.256 . . . . 0.0 112.043 172.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.72 -41.09 12.78 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.147 1.379 . . . . 0.0 113.05 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 tp -55.68 -43.67 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 123.832 0.853 . . . . 0.0 110.852 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -61.57 -43.8 98.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.254 1.422 . . . . 0.0 112.192 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -60.38 -52.56 64.74 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.403 0.681 . . . . 0.0 111.97 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.284 3.4 pp -73.43 -23.37 60.12 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -62.61 -39.18 92.95 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.158 0.89 . . . . 0.0 110.525 173.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -74.25 -36.26 63.86 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.422 0.689 . . . . 0.0 112.511 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.02 -19.09 64.11 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 62.2 mt -120.26 14.26 12.09 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.597 1.959 . . . . 0.0 111.781 -175.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -61.29 -16.41 45.43 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 74.5 p -116.71 -0.81 12.25 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.942 1.697 . . . . 0.0 113.7 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mm -74.33 141.21 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.377 1.071 . . . . 0.0 111.05 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m -56.4 127.79 32.79 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.936 1.695 . . . . 0.0 112.845 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.4 -24.88 58.11 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -174.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.609 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -98.53 -10.32 23.66 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.546 1.138 . . . . 0.0 113.629 177.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -97.86 -17.99 18.97 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.596 1.558 . . . . 0.0 111.714 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 58.5 tp -53.89 -37.67 63.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.654 1.982 . . . . 0.0 112.777 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -68.22 -27.22 66.18 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -92.16 -36.0 13.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.165 1.386 . . . . 0.0 111.933 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -61.41 -50.24 73.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.41 1.084 . . . . 0.0 111.345 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.01 -20.98 66.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.392 1.077 . . . . 0.0 112.752 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.13 -24.97 67.89 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 120.954 -1.092 . . . . 0.0 111.905 175.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -72.06 -32.34 66.99 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.204 -0.935 . . . . 0.0 111.467 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.78 -50.84 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 84.8 mt -53.1 -48.52 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.798 0.839 . . . . 0.0 111.193 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -61.85 -26.13 67.94 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.48 -31.59 26.44 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.863 0.865 . . . . 0.0 112.301 174.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.66 -38.79 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.703 1.201 . . . . 0.0 110.45 173.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -58.98 -12.7 4.9 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -116.99 3.89 12.8 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -87.27 152.61 52.96 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.928 0.891 . . . . 0.0 110.815 173.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.41 125.49 10.21 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.501 2.134 . . . . 0.0 111.436 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 pp -155.61 168.18 28.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.636 1.574 . . . . 0.0 112.093 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -137.28 14.72 3.01 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.31 1.444 . . . . 0.0 112.932 -175.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -150.32 158.62 44.36 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.416 1.886 . . . . 0.0 110.55 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -80.14 -3.57 49.39 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 1.3 mmt -73.44 128.49 35.65 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.543 -0.723 . . . . 0.0 110.019 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 mm -109.09 99.38 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.857 0.863 . . . . 0.0 109.503 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.87 164.22 26.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.414 1.485 . . . . 0.0 113.988 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.42 -47.16 66.5 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.903 1.281 . . . . 0.0 111.99 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 19.4 m -64.88 -26.19 68.22 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.47 1.108 . . . . 0.0 113.575 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.26 -41.75 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.172 0.989 . . . . 0.0 110.148 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.96 -35.85 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 121.432 -0.793 . . . . 0.0 111.731 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -56.76 -25.95 56.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.981 1.312 . . . . 0.0 113.343 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.64 -30.71 12.68 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.294 1.438 . . . . 0.0 113.15 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.4 81.74 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.156 -0.965 . . . . 0.0 113.196 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.97 -27.82 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.09 -1.006 . . . . 0.0 113.151 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -67.55 -20.68 65.44 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.521 1.529 . . . . 0.0 112.706 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -100.45 -35.36 9.58 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.025 1.73 . . . . 0.0 111.263 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 28.2 p -72.44 -15.95 61.82 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.757 1.623 . . . . 0.0 113.195 -172.855 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -42.74 99.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.928 0.891 . . . . 0.0 111.699 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -58.45 -40.34 82.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.663 1.185 . . . . 0.0 112.637 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.33 98.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.497 0.719 . . . . 0.0 112.853 175.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -70.05 -41.1 74.64 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.204 -0.935 . . . . 0.0 111.229 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -57.26 -49.92 74.52 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.384 1.474 . . . . 0.0 112.226 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.7 -26.41 65.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -71.76 -32.62 67.88 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.768 1.227 . . . . 0.0 112.298 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.02 4.42 6.02 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.237 1.875 . . . . 0.0 114.887 176.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -99.55 167.0 10.88 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.631 1.572 . . . . 0.0 112.175 -174.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.57 83.1 2.11 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.033 1.733 . . . . 0.0 109.166 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.37 115.82 3.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.277 1.031 . . . . 0.0 110.736 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -64.25 162.2 15.13 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.739 1.616 . . . . 0.0 113.303 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.85 -43.01 99.79 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 123.814 0.721 . . . . 0.0 113.427 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 23.6 pm0 -65.86 -24.25 66.83 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.47 -1.017 . . . . 0.0 113.144 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.36 -44.16 10.4 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.656 1.182 . . . . 0.0 112.698 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -43.32 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.615 0.766 . . . . 0.0 109.765 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -58.93 -44.19 91.29 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.811 1.644 . . . . 0.0 111.777 174.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.56 -53.2 60.38 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 122.973 0.509 . . . . 0.0 112.013 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.297 3.1 pp -71.67 -21.17 61.84 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 177.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.8 m -63.97 -39.11 93.39 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.019 0.928 . . . . 0.0 109.902 172.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -75.4 -35.54 61.0 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.577 -0.702 . . . . 0.0 112.045 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.12 -19.67 65.65 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -115.7 12.36 15.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.851 1.66 . . . . 0.0 112.906 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -60.87 -18.0 53.64 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 24.4 m -109.53 12.25 24.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.248 1.819 . . . . 0.0 113.033 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.21 142.68 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.262 1.425 . . . . 0.0 110.622 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 39.6 m -53.41 129.22 31.39 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.644 1.978 . . . . 0.0 112.869 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.09 -32.83 68.45 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.547 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.3 pt? -85.02 -4.19 59.06 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.726 1.21 . . . . 0.0 114.197 176.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -114.93 -14.79 11.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.403 1.481 . . . . 0.0 112.74 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.0 -43.04 63.46 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.625 1.57 . . . . 0.0 111.937 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -69.56 -26.26 64.4 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -88.27 -37.68 15.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.546 1.138 . . . . 0.0 111.815 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -60.79 -49.43 77.53 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.831 1.252 . . . . 0.0 111.221 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.86 -19.44 64.14 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.069 1.347 . . . . 0.0 113.242 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.88 -28.29 69.4 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.07 -1.019 . . . . 0.0 111.645 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -71.92 -34.34 68.99 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.936 0.895 . . . . 0.0 111.632 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 61.0 mt -64.66 -50.89 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 173.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -52.59 -50.14 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.163 0.985 . . . . 0.0 111.214 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -63.48 -23.49 67.42 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.79 -26.44 25.77 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.359 0.981 . . . . 0.0 112.486 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.42 -39.5 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.964 1.306 . . . . 0.0 109.892 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -62.59 -8.41 6.39 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.55 6.63 12.53 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -91.18 155.11 44.86 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.602 1.161 . . . . 0.0 111.42 174.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.16 133.45 17.95 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.801 2.334 . . . . 0.0 111.304 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.34 167.23 27.88 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.21 1.804 . . . . 0.0 111.847 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 34.4 m -124.62 2.14 8.25 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.848 1.259 . . . . 0.0 114.079 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 93.8 p -152.85 175.18 13.18 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.003 1.721 . . . . 0.0 110.706 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -85.44 6.58 26.1 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.324 -0.86 . . . . 0.0 113.188 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -75.64 131.98 40.3 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.37 -0.831 . . . . 0.0 110.03 174.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.4 mm -113.76 98.38 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 123.956 0.903 . . . . 0.0 108.671 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.78 168.76 19.52 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.593 1.157 . . . . 0.0 113.886 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -51.0 -49.9 59.51 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.127 0.971 . . . . 0.0 111.459 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -58.56 -30.74 67.37 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.031 0.932 . . . . 0.0 112.873 -175.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.15 -43.65 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.658 1.183 . . . . 0.0 111.159 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -67.87 -37.81 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 121.276 -0.89 . . . . 0.0 112.112 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.27 -20.46 59.13 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.293 1.837 . . . . 0.0 113.127 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.12 -33.8 10.31 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.152 1.781 . . . . 0.0 112.334 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.49 82.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.104 0.962 . . . . 0.0 113.318 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.2 -30.7 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.554 1.141 . . . . 0.0 112.543 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -65.26 -32.98 74.92 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.392 1.077 . . . . 0.0 111.784 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -87.37 -15.43 37.88 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.689 1.996 . . . . 0.0 113.5 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 57.7 p -125.8 -5.94 6.86 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.008 1.723 . . . . 0.0 113.606 174.718 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.07 -44.15 96.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.884 0.874 . . . . 0.0 111.936 174.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 70.7 m -60.35 -35.46 75.72 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.111 0.965 . . . . 0.0 112.799 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.92 95.75 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.996 -1.065 . . . . 0.0 112.697 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -62.4 -45.68 92.04 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.541 -0.724 . . . . 0.0 110.278 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -57.14 -41.92 80.02 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.327 1.451 . . . . 0.0 113.162 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 57.0 mt -64.77 -35.05 79.84 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.466 1.106 . . . . 0.0 113.27 175.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -77.16 -12.72 59.98 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.87 5.72 30.86 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.978 1.752 . . . . 0.0 114.841 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.91 166.29 12.8 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 112.443 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 90.7 mt -124.98 81.54 1.97 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.586 1.954 . . . . 0.0 109.339 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 tp -61.63 115.75 4.19 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.394 1.078 . . . . 0.0 110.8 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -60.39 157.19 14.32 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.296 1.438 . . . . 0.0 112.476 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.41 -30.09 75.26 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 123.425 0.536 . . . . 0.0 113.694 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.2 -21.1 59.96 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.291 -1.123 . . . . 0.0 113.079 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.45 -37.29 10.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.934 1.293 . . . . 0.0 112.448 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 tp -61.03 -39.78 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 121.36 -0.838 . . . . 0.0 111.372 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.78 -20.77 63.46 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -74.49 -52.46 11.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.66 0.784 . . . . 0.0 110.954 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.25 2.1 pp -84.86 -16.37 41.48 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -175.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 5.7 t -66.08 -34.31 77.78 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.013 1.278 . . . . 0.0 110.862 173.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -69.73 -34.07 73.34 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.992 -1.068 . . . . 0.0 111.539 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.34 -14.69 63.17 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.286 1.034 . . . . 0.0 113.005 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 94.8 mt -105.78 -2.08 23.59 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.148 1.779 . . . . 0.0 113.331 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -55.22 -26.54 40.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.041 1.336 . . . . 0.0 113.926 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 38.9 m -115.82 22.98 12.63 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.571 1.549 . . . . 0.0 112.48 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mm -116.29 144.28 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.87 1.668 . . . . 0.0 110.689 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 30.4 m -52.72 134.96 36.05 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.028 2.131 . . . . 0.0 113.542 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.51 -16.28 45.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -108.51 4.71 24.48 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.282 1.433 . . . . 0.0 113.447 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -126.51 -4.72 6.57 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.531 1.532 . . . . 0.0 113.257 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 pp -58.95 -36.22 74.43 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.016 0.926 . . . . 0.0 112.629 -174.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.6 -45.12 63.08 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.228 0.611 . . . . 0.0 111.338 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.74 -36.83 84.31 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.809 0.843 . . . . 0.0 112.341 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -66.18 -55.26 17.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.752 1.221 . . . . 0.0 110.879 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.0 -19.83 65.99 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.364 1.065 . . . . 0.0 113.08 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.31 -32.16 68.19 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.243 -0.911 . . . . 0.0 110.819 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.29 -37.6 77.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.145 0.978 . . . . 0.0 111.121 176.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 49.6 mt -63.28 -51.62 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.453 1.101 . . . . 0.0 108.868 174.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 98.9 mt -56.39 -44.09 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.635 0.774 . . . . 0.0 111.213 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.22 -25.47 68.35 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.15 -30.16 21.26 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.435 1.016 . . . . 0.0 112.085 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.18 -42.37 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.294 1.438 . . . . 0.0 109.795 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.34 -24.7 67.48 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -81.49 -15.23 55.62 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -81.08 128.85 69.53 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 124.128 0.971 . . . . 0.0 110.115 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.41 132.02 49.69 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.594 2.196 . . . . 0.0 113.174 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 pp -157.22 170.28 22.84 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.501 1.52 . . . . 0.0 112.148 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.9 p -137.38 7.63 2.85 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.239 1.416 . . . . 0.0 113.986 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 46.8 m -157.65 161.97 38.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.444 1.898 . . . . 0.0 110.752 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -80.62 1.77 28.44 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 21.9 ttm -82.42 130.46 35.11 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.083 0.953 . . . . 0.0 111.303 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -115.3 115.43 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.504 1.122 . . . . 0.0 110.559 -174.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -94.21 171.37 8.87 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.201 1.4 . . . . 0.0 113.727 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -56.27 -45.86 79.92 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.474 -0.766 . . . . 0.0 112.127 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 9.4 t -54.63 -32.91 59.76 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 87.0 t -74.86 -46.83 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.891 0.877 . . . . 0.0 111.944 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 28.0 m -70.61 -31.99 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 119.881 1.219 . . . . 0.0 113.141 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -63.69 -20.12 65.46 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.979 1.711 . . . . 0.0 112.958 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.23 -31.75 11.22 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.754 1.622 . . . . 0.0 112.545 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.45 82.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.123 -0.986 . . . . 0.0 113.26 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.1 -28.39 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.794 0.837 . . . . 0.0 112.867 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -66.62 -16.95 64.56 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.51 1.524 . . . . 0.0 113.203 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -116.9 -6.59 11.46 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.545 1.538 . . . . 0.0 113.277 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 52.4 p -122.6 1.16 9.46 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -174.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.254 1.325 0 C-N-CA 126.664 1.985 . . . . 0.0 111.906 174.546 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -35.69 70.13 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.736 -1.228 . . . . 0.0 112.351 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -57.72 -34.35 69.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.255 1.022 . . . . 0.0 113.726 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.18 78.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.15 0.886 . . . . 0.0 112.247 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -66.38 -43.03 87.04 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.529 0.731 . . . . 0.0 110.968 173.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -57.48 -51.17 70.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.657 1.583 . . . . 0.0 112.337 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.04 -27.23 65.47 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -68.46 -35.01 76.96 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.429 1.092 . . . . 0.0 111.825 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.72 2.25 4.42 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.157 1.837 . . . . 0.0 114.946 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.39 165.56 13.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.077 1.351 . . . . 0.0 112.232 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 95.1 mt -128.22 56.19 1.63 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.435 1.894 . . . . 0.0 110.502 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 42.9 tp -43.07 119.67 1.59 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.022 2.129 . . . . 0.0 112.893 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -68.43 159.79 30.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.25 1.42 . . . . 0.0 112.512 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.98 -26.98 72.46 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 123.903 0.764 . . . . 0.0 114.926 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -79.17 -31.88 44.05 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.573 1.187 . . . . 0.0 111.062 173.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.78 49.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.753 1.221 . . . . 0.0 112.532 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.4 tp -60.96 -44.44 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 121.687 -0.633 . . . . 0.0 110.831 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.49 -44.92 89.57 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.723 1.609 . . . . 0.0 111.52 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -56.65 -54.99 39.73 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.944 0.898 . . . . 0.0 111.809 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.27 3.1 pp -74.62 -23.03 58.64 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 21.2 m -65.32 -42.0 93.42 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.698 0.799 . . . . 0.0 110.32 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.75 -36.5 75.85 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.622 -0.674 . . . . 0.0 112.121 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.85 -12.63 61.03 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 94.7 mt -123.04 10.45 9.43 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.455 1.902 . . . . 0.0 112.558 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -59.76 -24.57 64.18 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.093 1.357 . . . . 0.0 113.666 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 72.6 p -104.65 -4.62 22.27 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.207 1.803 . . . . 0.0 114.352 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -73.82 142.56 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.281 1.032 . . . . 0.0 111.403 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 31.0 m -54.99 126.3 23.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.253 1.821 . . . . 0.0 112.269 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.02 -34.38 73.28 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -174.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.592 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.5 pt? -79.26 -6.84 57.57 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.562 1.145 . . . . 0.0 113.949 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -108.43 -5.09 16.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.819 1.648 . . . . 0.0 112.64 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 66.5 tp -52.94 -43.84 66.61 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.313 1.445 . . . . 0.0 111.35 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -67.33 -19.0 65.39 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -102.56 -34.19 9.2 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.835 1.254 . . . . 0.0 111.832 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -68.98 -50.01 52.76 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.34 0.656 . . . . 0.0 112.079 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.45 -26.78 68.69 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.537 1.135 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.84 -30.79 71.77 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.452 0.701 . . . . 0.0 111.75 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.61 -38.04 86.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.758 0.823 . . . . 0.0 111.447 175.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 52.3 mt -66.17 -51.08 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.518 0.727 . . . . 0.0 109.105 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.59 -45.96 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.807 0.731 . . . . 0.0 111.013 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.7 -25.51 68.2 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.196 -0.94 . . . . 0.0 113.495 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.07 -29.2 23.57 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.457 1.026 . . . . 0.0 112.391 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.25 -41.71 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.821 1.248 . . . . 0.0 109.635 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -65.33 -22.79 66.86 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.94 -16.08 57.44 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -82.95 126.81 71.76 Favored Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 124.601 1.16 . . . . 0.0 109.8 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.94 130.76 42.43 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.09 2.526 . . . . 0.0 112.776 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -155.26 169.25 24.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.242 1.417 . . . . 0.0 112.628 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 78.9 p -138.1 6.13 2.59 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.509 1.524 . . . . 0.0 113.83 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 17.6 t -151.91 164.1 37.83 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.434 1.893 . . . . 0.0 110.485 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -94.58 6.6 48.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.129 0.972 . . . . 0.0 113.485 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 43.1 mmm -78.83 126.59 30.91 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.475 -0.766 . . . . 0.0 109.87 173.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 39.7 mm -111.43 102.87 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.366 0.666 . . . . 0.0 109.92 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.61 169.53 17.53 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.888 1.275 . . . . 0.0 113.676 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -55.84 -45.47 78.4 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.602 0.761 . . . . 0.0 111.912 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 9.8 t -55.27 -32.66 62.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.99 -46.67 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.901 0.881 . . . . 0.0 112.321 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.96 -32.34 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-N 119.453 1.024 . . . . 0.0 112.832 175.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -63.14 -19.88 64.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.646 1.578 . . . . 0.0 112.875 174.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.59 -31.16 10.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.846 1.658 . . . . 0.0 113.149 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.57 76.04 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.934 -1.104 . . . . 0.0 113.55 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.89 -29.27 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.594 -0.692 . . . . 0.0 112.273 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -64.51 -20.4 66.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.269 1.027 . . . . 0.0 113.155 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -108.25 -7.37 15.98 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.368 1.467 . . . . 0.0 113.625 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 67.8 p -130.21 -0.98 4.57 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -173.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.892 2.077 . . . . 0.0 114.299 176.662 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -42.09 95.61 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.441 -0.787 . . . . 0.0 111.41 174.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.3 m -62.03 -36.63 82.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.379 1.071 . . . . 0.0 112.446 174.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.17 75.06 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.103 -0.998 . . . . 0.0 112.149 174.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -56.67 -44.88 81.83 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.066 0.848 . . . . 0.0 110.588 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -57.93 -43.56 86.35 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.888 1.675 . . . . 0.0 113.261 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.41 -33.72 76.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.109 0.964 . . . . 0.0 113.385 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.54 -12.06 59.97 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 176.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.78 -3.85 34.18 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 126.129 1.823 . . . . 0.0 114.386 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.65 174.81 8.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.467 1.507 . . . . 0.0 111.473 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 88.2 mt -135.92 155.18 50.67 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.667 1.987 . . . . 0.0 107.552 173.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 tp -126.12 124.13 39.85 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 tpt85 -54.14 -24.74 18.99 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -171.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.67 -19.9 37.91 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.478 1.037 . . . . 0.0 113.362 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -99.84 -31.02 11.71 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.709 1.204 . . . . 0.0 109.896 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.63 76.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.383 1.073 . . . . 0.0 113.073 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 tp -59.7 -41.48 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.604 0.762 . . . . 0.0 111.111 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -60.23 -45.11 94.35 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.547 1.539 . . . . 0.0 111.647 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -58.62 -53.16 61.5 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.61 0.764 . . . . 0.0 111.693 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.251 4.4 pp -73.1 -23.92 60.57 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 177.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 18.3 m -63.11 -40.56 98.0 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.391 -0.818 . . . . 0.0 110.369 172.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.24 -32.99 67.19 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.245 -0.91 . . . . 0.0 112.501 174.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.9 -20.71 55.9 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 80.8 mt -118.86 8.54 11.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.487 1.515 . . . . 0.0 113.423 -174.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -55.48 -20.81 13.86 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 47.7 m -112.35 -2.97 14.64 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.202 1.401 . . . . 0.0 113.555 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mm -76.46 136.66 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.942 0.897 . . . . 0.0 109.901 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 18.2 m -53.37 128.21 27.65 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.913 1.685 . . . . 0.0 113.124 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.86 -35.22 74.33 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.588 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.2 pt? -75.86 -2.63 31.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.341 1.456 . . . . 0.0 114.44 174.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -123.44 -2.33 8.49 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.725 2.01 . . . . 0.0 112.34 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.38 -47.08 86.8 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 125.172 1.389 . . . . 0.0 111.859 -174.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -67.37 -40.35 85.73 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.291 0.496 . . . . 0.0 112.14 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.12 -37.86 88.97 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.497 -0.752 . . . . 0.0 112.363 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -68.24 -54.38 18.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.173 0.989 . . . . 0.0 111.101 173.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.47 -30.31 68.44 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.25 1.42 . . . . 0.0 111.983 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.78 -30.38 70.0 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.428 -0.795 . . . . 0.0 112.065 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -66.32 -36.62 83.39 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.492 -0.755 . . . . 0.0 111.091 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.51 -52.25 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.025 0.93 . . . . 0.0 108.553 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 87.3 mt -56.03 -42.78 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.755 0.822 . . . . 0.0 111.228 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -66.31 -27.25 67.77 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.46 -32.12 32.71 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.099 0.96 . . . . 0.0 112.407 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.32 -40.02 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.531 1.132 . . . . 0.0 110.599 173.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.94 -22.56 60.21 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 174.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -81.79 -13.78 57.26 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -88.47 149.44 44.45 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 124.612 1.165 . . . . 0.0 111.036 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.19 131.57 16.77 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.411 2.074 . . . . 0.0 111.142 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 pp -156.51 168.17 28.18 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.468 1.507 . . . . 0.0 112.617 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.7 p -134.49 9.28 3.68 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.225 1.41 . . . . 0.0 113.923 -174.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -150.94 157.75 43.29 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.433 1.893 . . . . 0.0 110.216 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -78.15 -4.2 46.34 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.706 -0.621 . . . . 0.0 112.489 174.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 56.4 tpp -77.51 130.97 37.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.972 0.909 . . . . 0.0 111.336 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.8 mm -115.42 136.37 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 125.943 1.697 . . . . 0.0 109.559 -175.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -118.83 165.92 13.44 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.982 1.313 . . . . 0.0 113.184 -174.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -56.34 -41.06 75.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.969 0.908 . . . . 0.0 112.29 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -62.77 -27.91 69.61 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.54 -43.93 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.79 0.836 . . . . 0.0 110.903 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.64 -37.06 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.499 -0.751 . . . . 0.0 112.053 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -58.13 -24.64 59.53 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.024 1.329 . . . . 0.0 113.394 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.45 -34.58 10.96 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.201 1.4 . . . . 0.0 112.81 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.85 78.97 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.084 -1.01 . . . . 0.0 113.309 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.88 -31.07 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.404 -0.81 . . . . 0.0 112.609 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -69.3 -27.23 65.21 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.159 1.384 . . . . 0.0 112.472 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -92.33 -9.76 40.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.167 1.787 . . . . 0.0 112.839 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 61.2 p -126.64 5.98 6.8 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -173.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.995 1.718 . . . . 0.0 112.381 179.145 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -44.07 97.87 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.49 -0.756 . . . . 0.0 111.561 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 33.6 t -61.22 -39.91 92.02 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.185 0.994 . . . . 0.0 112.318 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.33 96.72 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.629 -0.669 . . . . 0.0 112.253 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -64.87 -44.64 89.04 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.248 -0.908 . . . . 0.0 110.625 173.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.6 -50.26 73.7 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.35 -24.25 65.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 72.4 mmt-85 -81.67 -11.58 59.02 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.321 1.449 . . . . 0.0 113.086 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.4 2.4 27.72 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.712 1.625 . . . . 0.0 115.673 173.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -99.81 168.7 9.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.199 1.399 . . . . 0.0 112.742 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.83 82.56 2.08 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.501 1.92 . . . . 0.0 109.61 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.82 121.63 14.48 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.681 1.192 . . . . 0.0 111.389 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -62.65 159.46 16.05 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.899 1.28 . . . . 0.0 113.308 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.8 -26.01 72.01 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.302 0.953 . . . . 0.0 114.749 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.0 -31.55 56.56 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.164 -1.198 . . . . 0.0 110.761 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.82 -41.75 22.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.266 1.426 . . . . 0.0 113.193 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.2 tp -55.33 -43.99 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.605 0.762 . . . . 0.0 110.984 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -60.93 -43.48 98.58 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.46 1.504 . . . . 0.0 112.109 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -61.21 -54.39 44.88 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.104 0.561 . . . . 0.0 112.163 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.31 2.7 pp -71.62 -23.68 61.75 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 17.3 m -64.23 -42.87 96.35 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.225 -0.922 . . . . 0.0 110.417 173.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.49 -35.87 70.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.402 0.681 . . . . 0.0 112.614 174.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -15.95 63.59 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.2 mt -121.99 10.67 10.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.008 1.723 . . . . 0.0 112.912 -174.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -61.57 -14.33 29.12 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 40.0 m -118.77 1.43 11.58 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.223 1.409 . . . . 0.0 113.723 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mm -74.02 145.64 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.03 0.932 . . . . 0.0 110.409 174.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.61 143.94 57.42 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.347 1.059 . . . . 0.0 113.716 -174.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.8 -30.41 65.66 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -174.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.595 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.7 pt? -100.94 -8.24 22.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.642 1.177 . . . . 0.0 113.514 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -101.67 -10.1 20.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.058 1.343 . . . . 0.0 112.524 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.6 tp -56.34 -42.66 78.07 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.356 1.463 . . . . 0.0 112.097 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -68.1 -47.56 67.88 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.54 -33.75 76.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.663 0.785 . . . . 0.0 112.18 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -67.87 -56.19 10.06 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.825 1.25 . . . . 0.0 111.185 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -28.78 69.6 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.119 0.968 . . . . 0.0 112.476 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.26 -28.18 69.53 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.472 -0.767 . . . . 0.0 112.404 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -71.65 -32.74 68.25 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.333 -0.854 . . . . 0.0 111.486 174.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 39.6 mt -65.99 -50.63 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.31 -44.24 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.598 0.759 . . . . 0.0 111.106 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -64.04 -22.98 67.16 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.15 -33.46 18.2 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.687 1.131 . . . . 0.0 111.739 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.55 -41.14 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.717 1.207 . . . . 0.0 110.238 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.88 -6.53 6.1 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.748 1.619 . . . . 0.0 115.249 174.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -111.24 -2.78 15.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.781 1.632 . . . . 0.0 113.776 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -89.04 154.03 49.43 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.45 1.1 . . . . 0.0 110.866 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.45 123.24 8.52 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.675 2.25 . . . . 0.0 111.262 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 pp -155.28 169.59 23.84 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.789 1.636 . . . . 0.0 112.255 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 19.8 m -135.62 15.19 3.4 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.096 1.358 . . . . 0.0 112.975 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -151.08 156.37 40.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.212 1.805 . . . . 0.0 110.501 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -83.4 -2.71 56.45 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.425 0.69 . . . . 0.0 112.371 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 15.8 ttm -78.52 128.94 34.27 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.832 0.853 . . . . 0.0 110.793 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 35.7 mm -115.33 108.56 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.512 1.125 . . . . 0.0 110.922 -173.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.64 166.52 21.0 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.024 0.93 . . . . 0.0 113.331 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -54.24 -44.61 71.89 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.655 1.182 . . . . 0.0 111.971 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -59.95 -29.68 68.57 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.387 1.075 . . . . 0.0 113.114 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.06 -44.03 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.396 1.079 . . . . 0.0 110.688 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -63.61 -40.6 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.579 0.752 . . . . 0.0 111.923 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -58.76 -15.65 13.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.5 1.52 . . . . 0.0 113.985 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -104.63 -35.63 7.75 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.833 1.653 . . . . 0.0 111.712 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.78 84.27 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.16 -0.963 . . . . 0.0 113.37 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.84 -31.68 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.133 0.973 . . . . 0.0 112.553 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -69.67 -28.08 65.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.9 1.28 . . . . 0.0 112.847 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -92.9 -8.75 42.44 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.304 1.442 . . . . 0.0 112.777 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 59.2 p -125.76 5.73 7.42 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.339 1.856 . . . . 0.0 112.724 177.313 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -44.77 95.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.934 0.894 . . . . 0.0 112.34 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 24.6 m -65.81 -32.51 74.08 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.443 -0.786 . . . . 0.0 112.695 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.99 95.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.313 0.645 . . . . 0.0 112.074 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.3 -45.0 86.13 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.689 -0.632 . . . . 0.0 110.237 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.82 -48.65 80.84 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.88 -25.46 66.41 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.032 0.833 . . . . 0.0 113.125 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -80.59 -10.79 59.72 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.973 1.309 . . . . 0.0 113.048 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.71 1.3 30.63 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.827 1.68 . . . . 0.0 115.424 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.53 168.98 10.36 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.932 1.293 . . . . 0.0 112.572 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.7 mt -128.8 89.0 2.81 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.23 1.812 . . . . 0.0 109.649 175.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.71 116.52 6.35 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.646 1.178 . . . . 0.0 111.001 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -61.25 159.24 12.55 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.533 1.533 . . . . 0.0 113.463 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.59 -29.79 76.13 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 123.586 0.612 . . . . 0.0 113.7 174.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.6 -21.44 60.33 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.216 1.008 . . . . 0.0 112.557 173.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.13 -39.74 11.42 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.747 1.219 . . . . 0.0 112.566 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 8.9 tp -59.53 -39.2 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.293 -0.879 . . . . 0.0 111.633 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -70.53 -10.61 59.66 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -88.91 -57.47 2.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.776 0.83 . . . . 0.0 110.601 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.266 1.7 pp -73.07 -16.15 61.49 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -175.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 13.7 t -58.97 -33.34 70.55 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.386 1.074 . . . . 0.0 113.09 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -99.84 -17.34 17.69 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.834 1.254 . . . . 0.0 113.373 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.19 -17.28 60.41 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.152 -0.967 . . . . 0.0 112.785 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 79.1 mt -123.94 8.9 8.72 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.548 1.939 . . . . 0.0 112.677 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -61.98 -25.67 67.76 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.045 -1.035 . . . . 0.0 113.444 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -88.16 1.78 53.6 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.813 1.645 . . . . 0.0 113.738 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -103.32 142.09 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.465 1.506 . . . . 0.0 111.052 -176.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 35.7 m -53.06 132.5 38.04 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 127.207 2.203 . . . . 0.0 113.232 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.35 -29.91 61.97 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.96 -9.26 26.46 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.187 1.395 . . . . 0.0 113.703 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.96 -9.15 20.92 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.337 1.455 . . . . 0.0 111.457 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.46 -39.52 80.16 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.578 1.951 . . . . 0.0 112.166 -176.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.44 -43.52 80.93 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.55 -35.22 77.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.717 0.807 . . . . 0.0 112.456 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -67.55 -53.83 25.06 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.024 1.33 . . . . 0.0 111.702 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.99 -20.12 65.67 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.581 1.152 . . . . 0.0 112.944 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.03 -32.94 70.19 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.584 0.753 . . . . 0.0 110.678 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.42 -31.49 67.29 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.11 0.964 . . . . 0.0 111.614 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 57.0 mt -67.69 -50.61 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.143 0.977 . . . . 0.0 108.444 174.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 89.8 mt -58.71 -41.58 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.398 -0.814 . . . . 0.0 111.135 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.42 -22.96 66.83 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.046 -1.034 . . . . 0.0 113.595 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.75 -31.49 20.91 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.277 1.031 . . . . 0.0 112.625 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.79 -39.7 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.735 1.214 . . . . 0.0 110.346 173.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -61.63 -17.97 57.51 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 175.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -87.05 -9.71 54.8 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -95.79 151.28 38.31 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.593 1.157 . . . . 0.0 111.453 -175.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.54 128.96 13.17 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.633 2.222 . . . . 0.0 111.391 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 pp -157.16 168.0 28.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.783 1.633 . . . . 0.0 111.59 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 23.3 m -130.7 4.67 4.61 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.506 1.122 . . . . 0.0 113.589 -174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 86.0 p -151.65 171.22 17.99 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.531 1.533 . . . . 0.0 111.263 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -82.67 0.9 41.12 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 21.5 ttm -83.31 129.41 35.0 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.151 -0.968 . . . . 0.0 111.032 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.52 109.34 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.735 1.214 . . . . 0.0 110.947 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -82.17 168.72 17.4 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.895 1.278 . . . . 0.0 113.763 175.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -52.42 -49.65 64.09 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.364 1.065 . . . . 0.0 111.625 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -57.76 -30.37 65.57 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.346 1.058 . . . . 0.0 112.818 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.2 -45.34 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.739 1.216 . . . . 0.0 111.068 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.36 -39.63 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.895 0.878 . . . . 0.0 112.227 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -60.0 -20.57 58.46 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.168 1.787 . . . . 0.0 113.262 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.65 -34.8 8.93 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.129 1.772 . . . . 0.0 112.799 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.01 79.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.49 1.116 . . . . 0.0 113.206 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.52 -32.68 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.18 -0.95 . . . . 0.0 112.63 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -64.2 -28.07 69.49 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.406 1.482 . . . . 0.0 112.625 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -84.06 -35.71 23.58 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.839 1.656 . . . . 0.0 111.209 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 23.7 p -68.55 -19.59 64.5 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.957 1.703 . . . . 0.0 112.211 -173.151 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -38.44 71.99 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.619 1.168 . . . . 0.0 112.49 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -56.07 -34.58 66.09 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.01 -44.57 65.62 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.059 -1.026 . . . . 0.0 112.451 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -59.95 -43.59 94.93 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.641 -0.662 . . . . 0.0 110.526 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -58.13 -44.66 87.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.194 1.798 . . . . 0.0 112.876 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 44.9 mt -61.76 -37.24 83.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.947 0.899 . . . . 0.0 113.152 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -76.74 -12.88 60.05 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.53 10.17 36.41 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.306 1.431 . . . . 0.0 114.932 174.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -87.08 161.56 18.07 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.673 1.189 . . . . 0.0 112.489 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -126.99 57.23 1.47 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.055 2.142 . . . . 0.0 109.646 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 48.6 tp -48.94 117.62 2.18 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.5 1.92 . . . . 0.0 112.496 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -59.41 156.53 12.78 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.394 1.878 . . . . 0.0 112.88 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.77 -43.37 96.51 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 123.872 0.749 . . . . 0.0 113.844 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.33 -26.34 66.5 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.88 1.272 . . . . 0.0 113.865 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.71 -38.9 11.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.118 1.367 . . . . 0.0 112.103 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -43.82 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.43 0.692 . . . . 0.0 109.9 176.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -65.74 -35.01 79.51 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.893 0.77 . . . . 0.0 112.635 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.97 -53.91 53.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.714 0.806 . . . . 0.0 111.296 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.256 3.1 pp -75.48 -24.24 56.9 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 44.5 m -63.85 -41.98 97.69 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.848 0.749 . . . . 0.0 111.128 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.47 -38.53 65.41 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.361 0.665 . . . . 0.0 112.512 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.03 -18.96 65.69 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -121.67 13.31 10.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.299 1.84 . . . . 0.0 112.045 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -61.78 -20.77 63.94 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.705 1.202 . . . . 0.0 113.684 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.2 p -105.34 -5.62 20.32 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.806 1.642 . . . . 0.0 114.492 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 2.4 mm -72.8 141.71 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.354 1.062 . . . . 0.0 110.669 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -61.32 132.87 54.95 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.21 1.404 . . . . 0.0 112.3 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.5 -34.06 68.69 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -173.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.589 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -86.28 -14.63 43.15 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.306 1.043 . . . . 0.0 113.345 178.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -95.52 -18.3 20.75 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.205 1.402 . . . . 0.0 111.915 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.5 tp -56.4 -39.8 73.59 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 126.571 1.948 . . . . 0.0 111.825 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.39 -43.65 93.79 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.49 -37.6 68.4 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.87 0.868 . . . . 0.0 112.624 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -62.41 -57.17 12.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.652 1.181 . . . . 0.0 111.416 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tt -68.71 -20.96 64.43 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.491 1.116 . . . . 0.0 112.937 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -60.55 -30.63 69.89 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.287 -0.883 . . . . 0.0 110.649 173.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.85 -36.18 79.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.544 0.737 . . . . 0.0 111.335 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.95 -47.88 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.125 0.97 . . . . 0.0 109.287 174.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 90.3 mt -58.31 -44.49 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.926 0.785 . . . . 0.0 110.925 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -66.6 -20.62 66.05 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 120.776 -1.202 . . . . 0.0 113.6 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.4 -18.27 28.71 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.059 1.344 . . . . 0.0 112.895 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.69 -40.58 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.344 1.458 . . . . 0.0 108.615 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.24 -28.77 69.96 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -78.42 -12.71 60.02 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -85.4 151.27 56.0 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 124.418 1.087 . . . . 0.0 110.74 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.27 122.69 8.57 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.389 2.06 . . . . 0.0 111.38 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -152.58 169.6 22.27 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.789 1.636 . . . . 0.0 111.878 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 81.8 p -138.08 7.85 2.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.01 1.324 . . . . 0.0 113.821 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 54.7 m -157.03 160.41 38.94 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.849 1.66 . . . . 0.0 111.47 175.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -84.19 3.28 35.86 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.902 1.281 . . . . 0.0 113.92 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 9.5 ttm -89.3 81.72 6.62 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.718 1.207 . . . . 0.0 111.416 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 31.4 mm -65.71 139.78 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.466 1.106 . . . . 0.0 111.017 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.15 165.43 14.78 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.374 1.47 . . . . 0.0 112.873 -174.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -54.19 -47.72 71.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.499 0.72 . . . . 0.0 111.01 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 8.1 m -59.66 -25.61 64.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.026 0.93 . . . . 0.0 113.322 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 97.7 t -81.46 -43.76 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.671 1.189 . . . . 0.0 111.38 174.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.34 -38.89 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 121.318 -0.864 . . . . 0.0 112.55 176.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -60.88 -18.95 59.26 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.253 1.821 . . . . 0.0 113.201 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.17 -31.03 10.78 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.148 1.779 . . . . 0.0 112.009 173.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.8 -38.25 88.48 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.959 -1.088 . . . . 0.0 113.094 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.81 -29.97 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.823 0.849 . . . . 0.0 112.672 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -71.84 -20.56 61.8 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.191 1.397 . . . . 0.0 112.899 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -99.91 -8.94 23.39 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.295 1.838 . . . . 0.0 112.866 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 61.6 p -128.45 7.68 5.86 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -173.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.158 1.783 . . . . 0.0 112.459 176.06 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.88 -39.67 94.74 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.406 -0.809 . . . . 0.0 111.184 174.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -61.53 -35.8 78.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.813 0.845 . . . . 0.0 112.558 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -46.06 81.97 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.017 -1.052 . . . . 0.0 112.513 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -60.77 -43.91 97.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.037 0.935 . . . . 0.0 110.915 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -58.24 -44.8 88.43 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.382 1.873 . . . . 0.0 113.02 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.4 -32.87 72.82 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.132 0.973 . . . . 0.0 113.032 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.41 -9.39 59.47 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 174.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.87 5.26 41.62 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.68 1.609 . . . . 0.0 115.452 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.52 164.73 15.29 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.516 1.158 . . . . 0.0 113.158 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.78 77.82 1.78 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.541 2.336 . . . . 0.0 109.264 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.04 125.62 24.62 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.344 1.058 . . . . 0.0 112.004 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -65.89 159.64 25.08 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.654 1.182 . . . . 0.0 112.955 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.5 -24.94 73.89 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.234 0.921 . . . . 0.0 114.996 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -81.13 -31.59 34.14 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.765 1.282 . . . . 0.0 110.774 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.31 -40.64 58.29 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.585 1.154 . . . . 0.0 112.159 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.63 -44.43 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 121.922 -0.486 . . . . 0.0 110.538 173.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -60.54 -40.62 92.19 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.506 1.522 . . . . 0.0 112.17 176.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -60.2 -54.17 49.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.592 0.757 . . . . 0.0 111.979 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.56 -21.88 57.49 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 16.3 m -58.72 -36.77 74.82 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.342 1.057 . . . . 0.0 111.352 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.25 -28.44 59.84 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.03 -38.51 61.46 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.991 0.916 . . . . 0.0 112.528 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.76 -7.09 59.28 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.996 1.318 . . . . 0.0 113.308 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -57.07 -28.59 62.72 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.3 p -109.34 -1.49 18.46 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.569 1.547 . . . . 0.0 113.807 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mm -77.67 143.5 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.559 1.144 . . . . 0.0 111.415 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m -54.68 128.28 31.89 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.256 1.822 . . . . 0.0 112.378 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.55 -34.3 73.94 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -175.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.573 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.4 pt? -78.74 -3.92 46.68 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -116.02 -1.66 12.45 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.211 1.804 . . . . 0.0 112.424 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 tp -53.95 -46.64 71.63 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.651 1.58 . . . . 0.0 111.715 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.04 -43.66 91.61 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.248 0.619 . . . . 0.0 112.568 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.42 -35.23 70.91 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -69.16 -51.71 35.46 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.317 1.047 . . . . 0.0 112.457 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 69' ' ' LEU . . . . . 0.416 HD12 HD12 ' M' ' 72' ' ' ILE . 40.8 tp -62.8 -24.71 67.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.239 1.016 . . . . 0.0 112.453 -179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.9 -35.66 77.22 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.736 0.815 . . . . 0.0 111.325 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -68.62 -31.86 71.32 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.045 0.938 . . . . 0.0 111.46 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 72' ' ' ILE . . . . . 0.416 HD12 HD12 ' M' ' 69' ' ' LEU . 62.7 mt -70.81 -52.78 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 173.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 78.6 mt -57.93 -41.9 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.383 0.673 . . . . 0.0 111.457 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.68 -25.91 67.69 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 174.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.18 -21.32 22.24 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.66 1.184 . . . . 0.0 113.011 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -75.13 -41.32 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.41 1.084 . . . . 0.0 108.904 171.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.21 -13.12 57.52 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.867 1.667 . . . . 0.0 115.099 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -108.05 0.18 21.59 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -85.42 145.39 42.25 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.233 1.013 . . . . 0.0 111.102 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.12 104.36 1.83 Allowed 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.278 2.652 . . . . 0.0 111.931 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 pp -139.31 -2.94 1.58 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 6.7 t 49.42 15.64 0.14 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.054 2.142 . . . . 0.0 116.559 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -144.23 -170.24 3.31 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.74 1.616 . . . . 0.0 111.715 -174.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -122.96 -2.64 8.69 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.604 1.562 . . . . 0.0 112.424 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 19.4 ttm -83.2 127.36 33.56 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.194 -0.942 . . . . 0.0 109.391 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 34.8 mm -113.35 108.49 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.13 0.972 . . . . 0.0 111.686 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.73 165.23 23.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.825 1.25 . . . . 0.0 113.369 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -56.78 -43.42 80.84 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.326 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t -56.54 -35.45 68.11 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.838 0.744 . . . . 0.0 112.798 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.59 -43.42 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.216 1.006 . . . . 0.0 111.576 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 48.3 t -69.76 -38.68 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.19 0.996 . . . . 0.0 112.308 176.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -59.24 -22.43 61.09 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.9 1.68 . . . . 0.0 112.991 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.03 -32.69 10.49 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.862 1.665 . . . . 0.0 112.452 173.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.8 86.14 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.019 -1.051 . . . . 0.0 113.505 175.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.23 -30.3 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.538 0.735 . . . . 0.0 112.647 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -64.13 -22.97 67.15 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.777 1.631 . . . . 0.0 113.037 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -90.05 -31.25 17.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.88 1.272 . . . . 0.0 111.46 175.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 25.0 p -74.16 -18.62 60.76 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.66 1.584 . . . . 0.0 112.815 -172.883 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -40.64 89.76 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.602 -0.686 . . . . 0.0 111.55 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.2 m -62.41 -32.64 73.5 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.876 0.871 . . . . 0.0 113.229 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.18 77.96 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.536 -0.727 . . . . 0.0 112.316 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.55 -42.69 86.75 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.261 0.624 . . . . 0.0 110.992 173.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -55.02 -50.68 68.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.357 1.863 . . . . 0.0 113.188 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.74 -24.86 64.51 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -69.45 -27.03 64.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.836 1.255 . . . . 0.0 112.905 173.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.91 -3.82 19.12 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 126.289 1.9 . . . . 0.0 114.079 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.06 164.42 14.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.377 1.471 . . . . 0.0 112.377 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.8 mt -129.96 81.65 2.02 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.478 1.911 . . . . 0.0 109.666 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 tp -62.11 120.04 10.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.929 1.692 . . . . 0.0 111.295 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -72.49 165.24 25.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.372 1.069 . . . . 0.0 112.816 -176.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.95 -24.62 73.1 Favored Glycine 0 CA--C 1.539 1.58 0 N-CA-C 115.647 1.019 . . . . 0.0 115.647 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -85.85 -30.35 23.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.987 1.394 . . . . 0.0 110.182 172.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.15 72.5 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.346 1.058 . . . . 0.0 112.116 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 tp -57.81 -45.99 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.753 0.821 . . . . 0.0 110.875 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -60.94 -43.56 98.5 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.104 1.362 . . . . 0.0 112.224 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -58.11 -53.09 62.2 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.849 0.86 . . . . 0.0 111.661 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.281 4.3 pp -73.7 -26.5 60.74 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.7 m -62.67 -40.48 97.21 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.269 0.94 . . . . 0.0 110.683 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -72.17 -33.98 68.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.527 0.731 . . . . 0.0 112.512 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.3 -29.23 67.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.92 11.44 33.58 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.48 1.912 . . . . 0.0 112.469 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -57.86 -18.96 25.69 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -174.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -123.04 7.12 9.23 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.3 1.44 . . . . 0.0 113.353 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -70.42 142.66 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.913 0.885 . . . . 0.0 110.664 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 37.3 m -52.88 132.71 37.48 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.363 1.865 . . . . 0.0 113.076 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.57 -29.16 64.2 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.25 3.23 51.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.395 1.478 . . . . 0.0 113.462 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -120.12 1.0 10.82 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.149 1.779 . . . . 0.0 112.303 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 67.7 tp -56.62 -44.59 81.35 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.136 1.374 . . . . 0.0 111.523 -177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.03 -44.37 76.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.94 0.496 . . . . 0.0 112.093 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.88 -34.2 77.59 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.869 0.868 . . . . 0.0 112.744 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -69.65 -54.14 15.33 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.762 1.225 . . . . 0.0 111.857 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.87 -26.08 67.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.948 1.299 . . . . 0.0 112.847 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -58.94 -34.72 72.07 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.279 1.032 . . . . 0.0 111.15 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.91 -32.35 69.26 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.696 0.798 . . . . 0.0 111.558 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.65 -52.45 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.185 0.994 . . . . 0.0 108.583 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 81.1 mt -56.85 -45.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.851 0.75 . . . . 0.0 111.359 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -63.3 -28.03 69.74 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.83 -33.27 46.21 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.276 0.944 . . . . 0.0 111.37 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 74.2 t -66.4 -41.3 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.404 1.081 . . . . 0.0 110.505 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.21 -21.87 62.3 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -91.96 -12.42 33.41 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.831 1.252 . . . . 0.0 114.269 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.37 150.38 82.51 Favored Pre-proline 0 N--CA 1.473 0.719 0 CA-C-N 119.236 0.925 . . . . 0.0 110.8 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -87.94 27.45 0.54 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.627 2.885 . . . . 0.0 115.359 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 pp -48.16 -20.1 0.33 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 128.538 2.735 . . . . 0.0 116.703 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 20.6 m 52.18 16.63 0.59 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.683 1.993 . . . . 0.0 116.27 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 13.9 t -142.32 -163.49 1.61 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.736 2.014 . . . . 0.0 110.455 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -128.69 4.29 5.51 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.469 1.108 . . . . 0.0 112.834 173.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 64.1 mmm -84.65 125.7 32.71 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.102 0.961 . . . . 0.0 109.665 174.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 29.5 mm -113.76 91.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.977 0.911 . . . . 0.0 109.472 -174.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -73.67 168.01 20.21 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.09 0.956 . . . . 0.0 113.061 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -49.75 -49.06 49.66 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.911 0.885 . . . . 0.0 111.626 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -57.6 -30.1 65.04 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.361 1.065 . . . . 0.0 113.113 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.5 t -74.52 -43.85 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.72 1.208 . . . . 0.0 111.218 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.06 -37.78 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.097 0.959 . . . . 0.0 111.974 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -60.38 -19.85 57.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.181 1.792 . . . . 0.0 112.998 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.63 -27.6 12.98 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.358 1.863 . . . . 0.0 112.448 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.79 -36.37 67.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.267 1.027 . . . . 0.0 113.359 174.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.55 -25.77 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.243 1.017 . . . . 0.0 113.303 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -64.8 -13.39 55.37 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.498 1.519 . . . . 0.0 113.145 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -112.6 -23.79 10.04 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.307 1.443 . . . . 0.0 113.054 174.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 28.8 p -80.51 -15.52 56.51 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.546 1.538 . . . . 0.0 113.048 -172.617 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.64 -43.62 96.27 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.737 0.815 . . . . 0.0 111.808 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 90.5 p -60.81 -35.68 77.1 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.7 96.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.936 0.789 . . . . 0.0 112.958 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -65.63 -44.58 86.03 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.2 0.6 . . . . 0.0 110.803 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.26 -37.11 84.18 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.71 -34.48 75.87 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.262 1.025 . . . . 0.0 112.278 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -82.97 -8.46 59.56 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.597 1.159 . . . . 0.0 113.399 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.91 1.55 48.91 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.999 1.762 . . . . 0.0 114.935 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.54 164.79 17.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.675 1.238 . . . . 0.0 112.875 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -129.02 85.25 2.3 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.787 2.035 . . . . 0.0 109.735 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 25.9 tp -64.47 123.55 19.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.828 1.251 . . . . 0.0 111.502 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -64.55 160.66 19.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.842 1.257 . . . . 0.0 113.17 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.75 -24.06 72.63 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.205 0.907 . . . . 0.0 114.809 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -82.35 -30.65 30.24 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.499 1.15 . . . . 0.0 110.796 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.53 -42.21 53.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.84 1.256 . . . . 0.0 112.526 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.5 tp -58.47 -44.01 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.603 0.761 . . . . 0.0 110.69 174.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.21 -42.89 99.38 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.16 1.384 . . . . 0.0 112.089 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.48 -53.87 53.14 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.321 0.648 . . . . 0.0 111.856 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.286 3.6 pp -72.87 -23.01 60.68 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 18.4 m -62.89 -40.5 97.74 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.209 -0.932 . . . . 0.0 110.422 173.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -74.13 -34.7 63.96 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.529 0.732 . . . . 0.0 112.222 174.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.55 -16.48 63.43 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 79.5 mt -121.86 12.62 10.56 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.616 1.967 . . . . 0.0 112.195 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -58.54 -17.66 23.3 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.8 p -126.84 4.23 6.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.914 1.686 . . . . 0.0 113.963 -177.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 mm -68.38 142.32 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.927 0.891 . . . . 0.0 111.158 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 28.7 m -54.85 127.33 28.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.876 1.671 . . . . 0.0 112.346 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -57.89 -36.72 72.79 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -174.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.614 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -80.67 -5.72 57.38 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.737 1.215 . . . . 0.0 114.046 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -111.65 -4.91 14.57 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.258 1.823 . . . . 0.0 112.672 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.29 -42.7 82.23 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.42 1.488 . . . . 0.0 111.978 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.71 -50.44 62.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.467 0.307 . . . . 0.0 111.652 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.95 -33.37 74.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.668 0.787 . . . . 0.0 112.536 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -69.67 -57.93 4.54 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.684 1.194 . . . . 0.0 111.491 174.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.81 -23.8 67.5 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.101 0.96 . . . . 0.0 112.542 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.2 -29.33 70.3 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.245 -0.909 . . . . 0.0 112.089 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -70.07 -34.8 73.63 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.378 -0.826 . . . . 0.0 111.209 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mt -63.78 -52.02 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 98.1 mt -54.94 -47.59 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.671 0.788 . . . . 0.0 110.963 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -61.56 -26.09 67.73 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.18 -24.96 25.93 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.059 0.845 . . . . 0.0 112.368 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.98 -38.93 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.886 1.274 . . . . 0.0 110.083 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.2 -15.39 33.74 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -114.94 3.27 14.49 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -176.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -82.69 157.09 67.56 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 124.26 1.024 . . . . 0.0 111.015 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.36 115.83 4.48 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.399 2.066 . . . . 0.0 111.579 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.6 169.07 24.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.056 1.742 . . . . 0.0 111.439 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 3.2 t -133.42 10.19 4.06 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.826 1.25 . . . . 0.0 113.186 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -150.73 170.78 18.41 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.569 1.548 . . . . 0.0 111.144 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -85.87 0.95 51.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.23 1.012 . . . . 0.0 113.352 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.1 ttm -84.31 127.58 34.06 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.151 -0.968 . . . . 0.0 111.174 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.8 mm -112.83 104.83 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.495 1.118 . . . . 0.0 110.772 -173.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.63 167.97 20.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.013 0.925 . . . . 0.0 113.362 174.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -53.77 -47.5 70.67 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.753 0.821 . . . . 0.0 111.626 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -57.92 -31.71 67.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.222 1.009 . . . . 0.0 113.037 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.8 t -71.35 -43.55 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.866 1.266 . . . . 0.0 111.317 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 51.9 t -67.42 -38.97 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 O-C-N 121.125 -0.985 . . . . 0.0 111.598 174.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -60.42 -19.97 58.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.278 1.831 . . . . 0.0 112.866 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.61 -32.99 10.81 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.225 1.81 . . . . 0.0 112.326 173.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.31 84.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.474 1.11 . . . . 0.0 113.64 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.65 -27.81 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.045 0.938 . . . . 0.0 112.826 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -68.32 -19.74 64.69 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.385 1.474 . . . . 0.0 113.291 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -112.43 -7.8 13.92 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.214 1.406 . . . . 0.0 113.234 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 59.1 p -119.87 2.64 11.06 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.663 1.985 . . . . 0.0 112.177 174.735 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.15 -39.16 82.71 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.796 -0.565 . . . . 0.0 111.336 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 44.9 m -58.36 -41.27 84.33 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.72 0.808 . . . . 0.0 113.084 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.05 99.64 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.442 -0.786 . . . . 0.0 112.496 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.17 -37.54 78.23 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.815 0.846 . . . . 0.0 112.208 174.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -62.29 -39.46 93.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.624 1.57 . . . . 0.0 112.916 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 68.6 mt -60.37 -28.65 68.37 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.269 1.028 . . . . 0.0 112.935 174.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.93 -8.46 49.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.232 1.413 . . . . 0.0 113.431 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.06 7.3 58.6 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.604 1.573 . . . . 0.0 115.468 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.17 165.83 21.19 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.951 1.375 . . . . 0.0 112.878 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 90.2 mt -126.4 76.94 1.66 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.316 2.246 . . . . 0.0 109.571 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.63 117.12 4.94 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.691 1.196 . . . . 0.0 110.267 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -62.59 161.3 12.35 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.994 0.918 . . . . 0.0 113.136 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -36.34 92.73 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 123.99 0.805 . . . . 0.0 113.437 174.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.96 -31.08 68.62 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.215 -1.168 . . . . 0.0 111.755 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.64 -44.06 29.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.741 1.216 . . . . 0.0 112.812 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -41.93 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.911 0.778 . . . . 0.0 109.678 174.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -59.36 -34.52 72.49 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.671 1.188 . . . . 0.0 112.621 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.92 -53.14 22.62 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.903 -0.498 . . . . 0.0 112.027 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.257 3.8 pp -76.2 -21.95 55.85 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -31.23 72.34 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.999 1.272 . . . . 0.0 111.382 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -80.16 -32.74 38.8 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.245 1.018 . . . . 0.0 112.17 174.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.72 -15.09 63.09 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.906 0.883 . . . . 0.0 112.906 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 80.4 mt -120.84 12.76 11.36 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.133 2.173 . . . . 0.0 112.378 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -57.33 -30.19 64.59 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.282 1.433 . . . . 0.0 113.992 -174.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.6 p -116.07 1.9 13.32 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.648 1.579 . . . . 0.0 113.835 -175.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.5 139.51 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.084 0.954 . . . . 0.0 111.252 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 21.4 m -54.35 127.29 26.66 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.014 1.725 . . . . 0.0 112.568 175.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.46 -35.8 72.71 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.59 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -79.52 -6.34 56.79 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.856 1.262 . . . . 0.0 114.144 175.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -112.93 0.02 14.97 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.615 1.966 . . . . 0.0 112.464 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.25 -47.39 78.61 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.07 1.348 . . . . 0.0 111.432 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.16 -40.87 74.48 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.662 0.385 . . . . 0.0 111.863 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.21 -34.45 77.69 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.789 0.836 . . . . 0.0 112.93 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -73.65 -52.08 14.56 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.903 1.281 . . . . 0.0 111.362 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.42 -25.09 64.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.114 1.366 . . . . 0.0 113.236 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -55.28 -36.83 66.56 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.795 1.238 . . . . 0.0 111.792 174.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -67.1 -40.68 86.94 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.173 0.989 . . . . 0.0 111.45 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.57 -49.97 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.115 0.966 . . . . 0.0 109.481 176.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 80.4 mt -56.35 -46.37 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.288 0.635 . . . . 0.0 110.816 177.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -67.97 -8.59 38.43 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.33 -32.14 9.7 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.083 1.353 . . . . 0.0 111.764 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.79 -42.71 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.861 1.265 . . . . 0.0 109.978 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.33 -16.41 60.29 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -93.64 -10.88 33.04 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -80.57 148.59 66.3 Favored Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 124.3 1.04 . . . . 0.0 110.612 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.81 124.82 9.0 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.174 1.916 . . . . 0.0 111.227 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.25 167.47 30.28 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.316 1.446 . . . . 0.0 112.189 177.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 45.2 m -131.6 16.86 4.84 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.591 1.557 . . . . 0.0 112.623 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -150.17 158.2 43.91 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.549 1.94 . . . . 0.0 110.453 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -84.5 -2.2 56.92 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.835 0.854 . . . . 0.0 112.366 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 32.8 ttm -78.89 130.18 35.35 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 120.967 -1.083 . . . . 0.0 112.05 176.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.42 100.16 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.001 1.32 . . . . 0.0 108.709 -174.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.52 167.52 21.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.716 0.806 . . . . 0.0 112.976 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -52.92 -45.75 67.76 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.222 1.009 . . . . 0.0 111.841 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -60.16 -29.39 68.64 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.03 0.932 . . . . 0.0 113.373 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.34 -44.18 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.287 1.035 . . . . 0.0 110.659 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.85 -38.69 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.388 -0.82 . . . . 0.0 111.874 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.29 -16.28 32.98 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.959 1.303 . . . . 0.0 113.611 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.4 -28.71 12.44 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.398 1.479 . . . . 0.0 111.987 174.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.01 -37.24 69.82 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.514 1.126 . . . . 0.0 112.951 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.6 -26.8 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.549 1.14 . . . . 0.0 112.943 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -67.21 -18.59 65.31 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.728 1.611 . . . . 0.0 113.623 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -117.15 -5.75 11.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.376 1.47 . . . . 0.0 113.382 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 67.2 p -124.91 0.25 7.97 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -174.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.154 1.382 . . . . 0.0 113.764 176.84 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.38 -37.51 78.11 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.07 -1.019 . . . . 0.0 111.614 174.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -60.04 -39.78 87.09 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.106 0.963 . . . . 0.0 112.991 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.46 98.1 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.768 -1.208 . . . . 0.0 112.004 175.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -61.28 -44.51 97.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.683 0.793 . . . . 0.0 110.958 173.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -59.65 -43.18 94.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.212 1.405 . . . . 0.0 112.689 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.6 -32.15 73.1 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.557 1.143 . . . . 0.0 113.051 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -82.14 -8.64 59.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.997 0.919 . . . . 0.0 113.415 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.21 4.71 38.12 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.777 1.656 . . . . 0.0 115.156 174.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.04 165.43 14.03 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.837 1.318 . . . . 0.0 113.036 -174.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.45 73.02 1.29 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.189 2.196 . . . . 0.0 109.411 175.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 38.9 tp -58.79 121.33 10.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.87 1.268 . . . . 0.0 111.333 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -62.11 158.35 16.95 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.729 1.212 . . . . 0.0 113.045 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.66 -25.59 71.7 Favored Glycine 0 CA--C 1.541 1.716 0 C-N-CA 124.119 0.866 . . . . 0.0 114.619 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -78.42 -30.87 47.89 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.336 -1.096 . . . . 0.0 110.907 173.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.49 -39.3 24.97 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.559 1.544 . . . . 0.0 113.276 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 tp -56.78 -43.72 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.419 0.687 . . . . 0.0 110.853 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.17 -44.81 94.75 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.765 1.626 . . . . 0.0 112.308 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.39 -51.52 69.57 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.453 0.701 . . . . 0.0 111.813 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.288 4.0 pp -73.56 -24.95 60.17 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 176.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 21.5 m -63.1 -41.23 99.34 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.996 0.817 . . . . 0.0 110.251 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.06 -38.93 69.37 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.402 0.681 . . . . 0.0 112.369 174.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.6 -18.96 65.65 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.0 mt -116.18 9.86 14.77 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.218 1.807 . . . . 0.0 112.267 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -59.07 -27.26 65.36 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.659 1.183 . . . . 0.0 113.539 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 70.0 p -98.28 -7.61 28.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.679 1.592 . . . . 0.0 114.556 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -74.94 143.24 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.13 0.972 . . . . 0.0 111.195 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 57.8 m -54.25 129.45 35.21 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.061 1.745 . . . . 0.0 112.424 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.64 -33.72 73.22 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.331 1.052 . . . . 0.0 113.748 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.592 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.4 pt? -82.02 -4.14 56.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.371 1.469 . . . . 0.0 114.517 175.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -112.79 -6.34 13.85 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.005 1.322 . . . . 0.0 112.515 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 tp -52.43 -45.34 65.92 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.204 1.402 . . . . 0.0 111.27 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.73 -15.67 63.58 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -102.0 -36.53 8.56 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.67 1.188 . . . . 0.0 112.343 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -66.67 -51.16 59.26 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.705 1.202 . . . . 0.0 111.87 174.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.08 -25.76 68.25 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.692 1.197 . . . . 0.0 112.879 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.32 -34.21 70.35 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.08 0.952 . . . . 0.0 111.369 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -70.07 -37.72 75.55 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.275 1.03 . . . . 0.0 111.422 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.7 mt -64.19 -49.84 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.02 0.928 . . . . 0.0 109.269 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.65 -42.04 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.316 0.647 . . . . 0.0 111.128 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.48 -27.29 68.39 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.03 -1.044 . . . . 0.0 113.772 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.87 -31.18 31.65 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.23 0.923 . . . . 0.0 112.404 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.69 -40.98 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.503 1.121 . . . . 0.0 110.114 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.67 -17.72 63.23 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -81.1 -13.06 59.09 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -91.56 152.25 43.3 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.595 1.158 . . . . 0.0 111.356 -175.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 128.33 11.94 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.499 2.132 . . . . 0.0 111.344 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 pp -157.73 169.04 25.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.983 1.713 . . . . 0.0 111.788 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -135.48 7.98 3.34 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.847 1.259 . . . . 0.0 113.473 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -151.16 169.61 21.46 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.857 1.663 . . . . 0.0 111.133 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -85.19 2.67 42.71 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 16.9 ttm -84.09 127.13 33.7 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.146 -0.971 . . . . 0.0 110.957 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 34.6 mm -115.07 110.78 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.354 1.062 . . . . 0.0 110.489 -173.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -86.51 166.41 15.49 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.588 1.155 . . . . 0.0 113.324 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -57.2 -41.49 79.49 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.977 0.911 . . . . 0.0 112.378 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -58.89 -35.14 72.51 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.971 0.908 . . . . 0.0 113.03 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.45 -43.91 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.934 0.894 . . . . 0.0 111.054 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.29 -37.79 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.551 -0.718 . . . . 0.0 112.085 175.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -58.57 -23.51 58.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.991 1.316 . . . . 0.0 112.843 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.71 -34.83 10.76 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.617 1.567 . . . . 0.0 112.723 173.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.37 -36.71 85.04 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.138 -0.976 . . . . 0.0 113.296 176.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.7 p -61.47 -31.0 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.669 0.788 . . . . 0.0 112.513 176.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -69.17 -26.32 64.8 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.149 1.38 . . . . 0.0 112.77 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -96.47 -9.13 30.41 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.889 1.676 . . . . 0.0 112.975 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 63.6 p -126.14 4.44 7.14 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -173.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.102 1.761 . . . . 0.0 112.237 177.39 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.01 -46.27 88.43 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -174.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 78.3 p -60.59 -35.29 75.73 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.0 85.77 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.899 0.772 . . . . 0.0 112.526 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -65.81 -42.33 90.79 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.424 0.69 . . . . 0.0 110.976 174.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.22 -35.93 78.55 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 176.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.18 -31.52 72.04 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.088 0.858 . . . . 0.0 112.487 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -84.84 -12.4 53.62 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.673 1.189 . . . . 0.0 113.371 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.89 1.75 52.17 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.83 1.681 . . . . 0.0 114.253 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.07 163.48 17.89 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.929 1.291 . . . . 0.0 112.51 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -131.27 82.78 2.06 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.628 1.971 . . . . 0.0 109.937 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.16 121.95 11.95 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.632 1.573 . . . . 0.0 110.906 174.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -71.68 164.38 26.04 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.34 1.056 . . . . 0.0 112.851 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.53 -36.83 93.64 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.017 0.818 . . . . 0.0 114.115 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.46 -31.0 66.66 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.339 -1.095 . . . . 0.0 111.219 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.3 -44.7 35.75 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.768 1.227 . . . . 0.0 112.97 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -45.59 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.593 0.633 . . . . 0.0 109.315 174.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -58.11 -37.58 74.83 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.231 1.013 . . . . 0.0 113.096 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.25 -56.01 20.16 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.498 0.59 . . . . 0.0 112.342 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.273 3.8 pp -68.25 -22.9 64.74 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.4 m -59.61 -35.4 74.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.631 1.172 . . . . 0.0 111.542 173.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -77.39 -34.13 54.98 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.959 0.799 . . . . 0.0 112.545 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.52 -31.01 67.93 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -105.87 12.21 30.97 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.679 1.992 . . . . 0.0 111.663 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.34 -28.36 42.24 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.048 1.739 . . . . 0.0 114.94 -174.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 42.7 m -120.09 8.06 10.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.84 1.256 . . . . 0.0 113.339 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mm -70.39 142.51 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.198 0.999 . . . . 0.0 111.141 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 17.1 m -55.19 127.13 27.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.599 1.56 . . . . 0.0 111.787 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.02 -29.22 67.1 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -174.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.88 -32.01 51.64 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.368 1.067 . . . . 0.0 111.646 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -90.04 -6.44 55.54 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.139 2.176 . . . . 0.0 111.807 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.97 -39.67 92.95 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.597 1.159 . . . . 0.0 112.513 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.35 -39.95 77.83 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 175.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -68.21 -37.06 80.47 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.069 0.947 . . . . 0.0 112.415 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -63.89 -53.02 56.96 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.147 1.379 . . . . 0.0 111.047 174.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.79 -20.98 66.67 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.74 0.816 . . . . 0.0 112.913 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.43 -26.76 68.88 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.941 -1.099 . . . . 0.0 111.68 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.05 -40.3 87.1 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.662 -0.649 . . . . 0.0 110.631 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 48.9 mt -61.56 -50.29 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.532 1.133 . . . . 0.0 109.257 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 79.9 mt -54.01 -47.69 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.451 0.7 . . . . 0.0 111.208 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -64.37 -21.79 66.74 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.26 -15.0 21.01 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.135 1.374 . . . . 0.0 112.987 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 39.3 t -84.01 -40.23 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.67 1.588 . . . . 0.0 108.641 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.01 -23.36 66.55 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -87.68 -7.73 57.04 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -82.4 151.03 64.99 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.04 0.936 . . . . 0.0 110.641 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.42 118.92 5.54 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.308 2.006 . . . . 0.0 111.44 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.24 165.31 36.67 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.559 1.543 . . . . 0.0 112.129 176.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 51.8 m -132.83 17.71 4.22 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.774 1.63 . . . . 0.0 112.868 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 21.5 t -148.15 168.8 21.51 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.386 1.874 . . . . 0.0 110.512 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -102.5 2.77 36.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.256 1.022 . . . . 0.0 113.067 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 53.5 mmm -79.44 125.21 29.25 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.668 0.787 . . . . 0.0 110.157 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -108.88 92.99 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.866 0.867 . . . . 0.0 109.39 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.7 162.49 27.64 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.293 1.437 . . . . 0.0 113.246 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -53.89 -46.31 71.33 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.979 0.912 . . . . 0.0 112.287 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 12.4 m -62.76 -24.35 67.67 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.759 0.823 . . . . 0.0 113.064 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.94 -40.51 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.471 1.109 . . . . 0.0 110.538 173.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.45 -37.96 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.229 1.012 . . . . 0.0 111.675 174.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -59.59 -17.57 34.05 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.914 1.286 . . . . 0.0 113.914 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.23 -26.62 13.58 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.285 1.434 . . . . 0.0 112.373 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.56 -37.52 65.51 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.684 1.194 . . . . 0.0 113.365 174.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.65 -27.76 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.449 1.1 . . . . 0.0 112.862 175.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -65.82 -20.25 66.18 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.624 1.57 . . . . 0.0 113.29 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -111.35 -8.58 14.32 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.331 1.452 . . . . 0.0 112.367 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 15.1 m -101.08 -12.52 18.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.895 1.278 . . . . 0.0 114.431 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.359 1.864 . . . . 0.0 112.271 -175.879 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -40.93 98.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.66 1.184 . . . . 0.0 111.945 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 60.9 m -61.01 -34.86 75.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.387 1.075 . . . . 0.0 112.853 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.47 85.48 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.283 0.947 . . . . 0.0 112.568 175.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.99 -45.87 93.03 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.627 -0.671 . . . . 0.0 110.359 174.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.63 -42.88 79.61 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.634 1.574 . . . . 0.0 113.523 174.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 49.4 mt -64.03 -36.27 83.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.318 1.047 . . . . 0.0 113.239 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -77.67 -14.42 59.63 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.12 5.44 25.06 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.502 1.525 . . . . 0.0 115.198 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.48 166.28 11.94 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.173 1.389 . . . . 0.0 112.645 -175.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.7 mt -128.18 76.25 1.68 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.554 1.942 . . . . 0.0 110.042 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 29.1 tp -56.53 116.4 3.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.329 1.451 . . . . 0.0 111.164 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -69.08 160.96 30.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.394 1.078 . . . . 0.0 112.699 -176.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.69 -28.0 69.18 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.097 0.855 . . . . 0.0 114.423 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.95 -27.34 60.15 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.559 -0.965 . . . . 0.0 112.099 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.05 -39.1 13.13 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.161 1.384 . . . . 0.0 112.555 -176.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.01 -41.61 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.75 0.704 . . . . 0.0 110.231 173.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -65.93 -34.37 77.97 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.112 1.365 . . . . 0.0 112.764 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -65.05 -54.32 32.0 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.412 0.551 . . . . 0.0 111.897 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.285 1.9 pp -76.82 -20.33 56.49 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -31.7 72.7 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.118 1.326 . . . . 0.0 111.773 173.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.68 -35.62 52.09 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.538 -0.726 . . . . 0.0 112.095 173.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.81 -16.23 64.01 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 82.4 mt -124.43 15.85 8.94 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.83 2.052 . . . . 0.0 111.804 -176.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -56.76 -28.76 61.74 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.69 1.596 . . . . 0.0 114.399 -174.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 35.6 m -116.22 5.55 13.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.761 1.224 . . . . 0.0 113.698 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -71.21 142.95 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.422 1.089 . . . . 0.0 110.769 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 23.4 m -54.61 128.78 33.89 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.272 1.829 . . . . 0.0 112.741 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.19 -34.29 73.42 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.615 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.5 pt? -80.42 -3.6 50.41 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.707 1.203 . . . . 0.0 113.554 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -119.05 -3.17 10.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.343 1.857 . . . . 0.0 112.996 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 tp -57.86 -45.66 85.96 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.389 0.995 . . . . 0.0 111.922 -174.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.84 -34.19 69.08 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.34 -39.48 78.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.563 0.745 . . . . 0.0 112.045 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -66.34 -51.74 54.17 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 111.336 174.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.47 -18.47 63.81 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.275 1.43 . . . . 0.0 113.245 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -58.78 -33.43 70.31 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.254 -0.904 . . . . 0.0 111.018 174.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.91 -38.43 91.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.678 0.791 . . . . 0.0 111.294 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.87 -52.86 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.407 1.083 . . . . 0.0 108.822 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 82.4 mt -57.07 -43.98 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.886 0.766 . . . . 0.0 110.991 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.93 -21.75 66.88 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.03 -32.34 15.94 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.397 1.079 . . . . 0.0 112.043 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.2 -39.62 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.766 1.227 . . . . 0.0 110.033 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.3 -4.0 3.38 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.729 1.612 . . . . 0.0 114.955 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.35 10.1 17.03 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.062 1.745 . . . . 0.0 113.599 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -107.28 156.15 38.16 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.691 1.596 . . . . 0.0 112.009 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.98 124.29 9.51 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.216 2.61 . . . . 0.0 111.744 175.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -158.37 166.71 31.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.989 1.716 . . . . 0.0 111.441 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -128.93 9.33 5.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.861 1.264 . . . . 0.0 113.893 -174.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 83.2 p -150.23 176.79 10.54 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.068 1.747 . . . . 0.0 111.083 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -87.9 4.63 44.03 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.565 -0.709 . . . . 0.0 112.562 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 16.3 mtp -87.38 131.86 34.15 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.474 -0.766 . . . . 0.0 110.383 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 29.1 mm -113.78 103.98 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.821 0.849 . . . . 0.0 110.528 -173.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.69 169.9 17.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.374 1.47 . . . . 0.0 113.854 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -60.5 -41.66 94.77 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.174 0.99 . . . . 0.0 112.754 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 10.6 p -65.48 -23.97 67.04 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 84.4 t -77.28 -44.52 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.99 0.916 . . . . 0.0 111.069 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.09 -28.8 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 O-C-N 120.946 -1.097 . . . . 0.0 112.829 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -59.61 -25.15 64.41 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.92 1.288 . . . . 0.0 113.403 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.39 -33.66 10.96 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.246 1.418 . . . . 0.0 112.712 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.02 -34.18 77.17 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.011 -1.055 . . . . 0.0 113.287 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.16 -30.3 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.323 -0.861 . . . . 0.0 112.699 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -66.49 -39.72 88.9 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.442 1.097 . . . . 0.0 111.568 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.98 -26.29 59.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.195 1.798 . . . . 0.0 112.372 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m -93.73 -9.46 37.61 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.255 1.348 0 C-N-CA 126.423 1.889 . . . . 0.0 113.465 -176.594 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.88 -40.52 95.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.962 0.905 . . . . 0.0 112.595 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 92.1 p -62.47 -33.6 75.15 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.72 92.6 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.878 0.871 . . . . 0.0 112.411 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 38' ' ' PHE . . . . . 0.503 ' CE1' HD21 ' M' ' 69' ' ' LEU . 35.7 m-85 -66.95 -44.03 81.64 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.538 -0.726 . . . . 0.0 110.655 173.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -57.45 -49.53 75.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.155 1.382 . . . . 0.0 113.098 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 pp -68.38 -26.88 65.78 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -79.14 -12.45 59.99 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.808 1.243 . . . . 0.0 113.171 174.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.12 5.02 35.44 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.849 1.69 . . . . 0.0 115.289 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.2 164.62 12.24 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.519 1.528 . . . . 0.0 112.893 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.2 mt -128.74 81.74 2.04 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.645 1.978 . . . . 0.0 110.283 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 25.2 tp -60.14 121.98 13.27 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.472 1.509 . . . . 0.0 111.357 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -74.97 166.86 22.99 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.502 1.121 . . . . 0.0 113.308 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.2 -22.0 74.19 Favored Glycine 0 CA--C 1.538 1.482 0 N-CA-C 115.707 1.043 . . . . 0.0 115.707 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -89.74 -30.07 18.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.325 1.562 . . . . 0.0 110.15 172.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.98 80.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.519 1.128 . . . . 0.0 111.97 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.2 tp -58.74 -43.52 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.925 0.89 . . . . 0.0 111.263 174.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -64.82 -35.25 80.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.392 1.477 . . . . 0.0 112.867 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -64.17 -51.39 64.05 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.923 0.489 . . . . 0.0 111.85 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.261 3.3 pp -79.83 -15.03 58.2 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -54.19 -52.24 61.82 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.856 1.262 . . . . 0.0 110.877 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.24 -21.98 52.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.37 -16.57 60.37 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.439 1.095 . . . . 0.0 113.566 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 98.2 mt -123.93 -2.93 8.19 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.323 1.449 . . . . 0.0 114.113 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -59.34 -30.46 68.4 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.011 -1.056 . . . . 0.0 113.499 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 75.5 p -85.99 -10.38 55.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.955 1.302 . . . . 0.0 114.446 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.95 139.02 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.895 0.878 . . . . 0.0 111.571 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -57.16 123.37 15.05 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.175 1.79 . . . . 0.0 112.225 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.7 -25.95 65.2 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' M' ' 63' ' ' LEU . 1.9 pp -84.96 -0.18 53.41 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.69 1.596 . . . . 0.0 113.221 177.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.18 -4.93 5.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.929 2.491 . . . . 0.0 112.403 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.53 -39.69 91.96 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.037 1.735 . . . . 0.0 112.192 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.48 -40.01 81.14 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.61 -37.14 84.25 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.412 -0.805 . . . . 0.0 112.355 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -65.57 -54.46 27.64 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.27 1.028 . . . . 0.0 111.78 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 69' ' ' LEU . . . . . 0.503 HD21 ' CE1' ' M' ' 38' ' ' PHE . 6.0 tt -62.26 -29.12 70.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.737 1.215 . . . . 0.0 111.751 -177.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.92 -29.33 69.54 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.182 -0.948 . . . . 0.0 112.094 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -68.7 -36.66 78.76 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.362 -0.836 . . . . 0.0 110.947 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 37.1 mt -64.2 -50.71 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.261 1.024 . . . . 0.0 108.931 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 73.4 mt -58.55 -43.02 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.91 0.777 . . . . 0.0 110.892 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -62.53 -26.12 68.4 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.43 -30.13 25.57 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.149 0.886 . . . . 0.0 111.868 175.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.23 -39.6 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.587 1.155 . . . . 0.0 109.426 172.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -62.4 -17.16 58.48 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.179 1.392 . . . . 0.0 114.655 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -79.63 -18.11 52.27 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -89.1 145.84 35.17 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 124.333 1.053 . . . . 0.0 111.678 -174.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.67 136.65 19.34 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.353 2.036 . . . . 0.0 111.149 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.06 167.19 26.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.711 1.604 . . . . 0.0 111.844 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 42.2 m -126.29 7.26 7.1 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.934 1.294 . . . . 0.0 113.6 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 85.5 p -150.18 173.14 14.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.292 1.837 . . . . 0.0 110.809 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -89.79 7.43 37.0 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.246 -0.909 . . . . 0.0 113.321 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.9 mtp -86.48 129.57 34.81 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.385 -0.822 . . . . 0.0 110.914 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 30.7 mm -113.73 98.48 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.69 1.196 . . . . 0.0 109.979 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.5 168.31 20.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.216 1.006 . . . . 0.0 113.381 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -50.17 -48.86 53.79 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.992 0.917 . . . . 0.0 111.816 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -57.01 -30.14 63.92 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.264 1.025 . . . . 0.0 112.918 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.2 t -76.01 -45.28 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.831 1.252 . . . . 0.0 111.426 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.72 -39.01 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.991 0.917 . . . . 0.0 112.147 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.29 -21.04 61.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.543 1.937 . . . . 0.0 113.068 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.78 -32.26 11.12 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.115 1.766 . . . . 0.0 112.532 173.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.68 75.44 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.037 -1.039 . . . . 0.0 113.48 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.67 -28.82 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.28 -0.888 . . . . 0.0 112.701 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -68.45 -20.41 64.63 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.624 1.57 . . . . 0.0 113.038 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -108.33 -8.59 15.62 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.369 1.868 . . . . 0.0 113.021 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 68.4 p -126.84 2.69 6.66 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -173.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.113 1.765 . . . . 0.0 112.457 176.263 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.94 -44.4 96.84 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 78.4 p -60.09 -34.38 73.39 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.33 76.72 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.151 0.887 . . . . 0.0 112.028 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.48 -43.64 98.51 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.343 0.519 . . . . 0.0 110.94 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -60.32 -40.44 90.63 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.79 1.236 . . . . 0.0 113.395 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.26 -36.06 82.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.234 1.014 . . . . 0.0 112.728 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -80.33 -13.93 58.78 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 175.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.16 9.82 29.0 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.675 1.607 . . . . 0.0 115.563 174.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.26 164.84 12.49 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.284 1.434 . . . . 0.0 113.159 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -127.56 76.28 1.66 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.995 2.118 . . . . 0.0 109.797 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.16 120.32 8.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.536 1.535 . . . . 0.0 111.814 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -72.78 165.42 24.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.775 1.23 . . . . 0.0 113.019 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.87 -35.0 91.39 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.085 0.85 . . . . 0.0 114.774 -177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.27 -32.36 62.89 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.818 1.309 . . . . 0.0 111.246 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.41 -43.3 60.75 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.23 1.012 . . . . 0.0 113.009 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -44.13 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.62 0.645 . . . . 0.0 109.551 174.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -59.99 -42.8 95.02 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.636 1.174 . . . . 0.0 111.892 174.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -58.67 -52.59 65.03 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.625 0.77 . . . . 0.0 111.873 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.267 3.0 pp -72.85 -24.04 60.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 177.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -64.44 -41.08 96.77 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.097 0.959 . . . . 0.0 111.297 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -67.53 -35.12 78.48 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.569 -0.707 . . . . 0.0 112.452 174.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.29 71.72 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.949 0.9 . . . . 0.0 113.221 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.23 5.7 50.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.652 1.581 . . . . 0.0 112.945 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -52.61 -31.39 36.22 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.485 1.514 . . . . 0.0 113.723 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 32.9 m -110.62 3.92 19.76 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.801 1.24 . . . . 0.0 113.645 -177.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -75.06 141.8 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.214 1.006 . . . . 0.0 110.649 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 24.6 m -55.48 126.61 25.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.101 1.76 . . . . 0.0 112.3 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.74 -37.19 75.65 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.582 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.5 pt? -77.25 -5.0 47.69 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.936 1.295 . . . . 0.0 113.98 176.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -117.3 0.07 12.15 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.873 2.069 . . . . 0.0 112.228 176.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 43.6 tp -61.66 -41.33 97.4 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.275 1.43 . . . . 0.0 111.818 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.78 -45.24 68.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.368 0.667 . . . . 0.0 111.775 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.61 -34.45 77.04 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.479 -0.763 . . . . 0.0 112.377 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -68.2 -56.4 8.85 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.966 1.306 . . . . 0.0 110.412 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.67 -24.48 67.8 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.8 0.84 . . . . 0.0 113.175 -176.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.02 -34.0 72.77 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.417 -0.802 . . . . 0.0 111.219 174.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -71.01 -33.5 70.42 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.914 0.886 . . . . 0.0 111.224 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 44.0 mt -63.88 -51.39 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.23 -42.39 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.123 0.569 . . . . 0.0 110.959 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.23 -24.21 67.77 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 175.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.66 -26.75 21.7 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.417 1.087 . . . . 0.0 112.343 174.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.14 -41.1 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.882 1.273 . . . . 0.0 109.512 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -65.03 -6.16 8.06 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.289 1.836 . . . . 0.0 115.873 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -117.45 4.02 12.48 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -87.19 154.82 54.85 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.754 1.222 . . . . 0.0 111.37 174.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.18 129.02 12.67 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.665 2.243 . . . . 0.0 111.707 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.75 168.84 24.96 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.099 1.759 . . . . 0.0 111.802 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.1 p -126.31 3.39 7.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.563 1.545 . . . . 0.0 114.208 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 75.8 p -148.81 176.9 10.0 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.327 1.851 . . . . 0.0 111.159 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -90.91 7.46 39.99 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.594 -0.691 . . . . 0.0 112.593 176.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 12.5 mtp -86.49 129.55 34.82 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 121.496 -0.753 . . . . 0.0 110.378 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 32.1 mm -112.86 101.39 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.855 0.862 . . . . 0.0 110.465 -173.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -78.88 170.49 16.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.94 1.296 . . . . 0.0 113.568 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -51.79 -49.0 63.56 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.111 0.964 . . . . 0.0 111.617 175.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -58.3 -26.2 62.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.671 0.788 . . . . 0.0 112.877 -176.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 67.1 t -79.47 -46.63 22.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.511 1.124 . . . . 0.0 111.852 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 18.6 m -68.39 -30.04 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 121.045 -1.034 . . . . 0.0 113.535 174.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -62.47 -21.45 65.47 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.766 1.626 . . . . 0.0 113.046 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.59 -32.06 9.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.632 1.573 . . . . 0.0 112.274 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.22 82.75 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.159 -0.963 . . . . 0.0 113.228 175.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.8 p -60.55 -33.17 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.649 -0.657 . . . . 0.0 112.488 176.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -71.78 -24.3 61.72 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.787 1.635 . . . . 0.0 112.547 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -93.09 -9.25 40.25 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.807 1.643 . . . . 0.0 113.012 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 68.2 p -126.34 7.98 7.12 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -173.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.244 1.818 . . . . 0.0 112.744 178.282 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -44.31 97.45 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.886 -0.509 . . . . 0.0 111.444 174.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 33.7 p -64.34 -33.16 75.2 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.96 96.52 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.033 0.933 . . . . 0.0 112.0 174.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.75 -45.02 91.73 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.805 -0.559 . . . . 0.0 110.573 173.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.48 -47.89 84.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.73 -26.06 65.96 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.106 0.867 . . . . 0.0 113.32 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 74.8 mmt-85 -77.43 -12.3 59.94 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.898 1.279 . . . . 0.0 113.036 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.69 4.89 26.25 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.633 1.587 . . . . 0.0 115.67 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -100.8 169.91 8.68 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.205 1.402 . . . . 0.0 112.842 -174.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 97.0 mt -129.62 78.01 1.82 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.076 1.75 . . . . 0.0 109.721 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.4 tp -56.57 117.34 3.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.116 1.366 . . . . 0.0 111.47 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -70.87 161.61 30.71 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.526 1.13 . . . . 0.0 112.241 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.38 -29.55 73.62 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 123.863 0.744 . . . . 0.0 113.923 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -22.9 60.84 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.413 -1.051 . . . . 0.0 112.908 174.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.35 -38.59 10.91 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.067 1.347 . . . . 0.0 112.691 -178.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.3 tp -60.82 -39.88 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.267 -0.895 . . . . 0.0 111.429 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -69.28 -21.19 63.9 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -76.12 -55.52 5.51 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.81 0.844 . . . . 0.0 110.695 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 pp -78.52 -19.47 52.87 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 6.4 t -61.27 -35.91 78.59 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.584 1.084 . . . . 0.0 111.916 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.81 -35.44 51.34 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.112 -0.993 . . . . 0.0 112.239 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.33 -17.46 64.78 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.1 mt -107.56 -4.9 17.9 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.601 1.561 . . . . 0.0 113.072 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.42 -29.72 69.17 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.24 1.016 . . . . 0.0 112.22 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 76.8 p -81.51 3.85 23.35 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.641 1.576 . . . . 0.0 114.43 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mm -116.49 144.07 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.924 1.69 . . . . 0.0 111.208 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 42.4 m -54.82 127.33 28.03 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.348 1.859 . . . . 0.0 112.112 174.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.29 -30.24 68.18 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 63' ' ' LEU . . . . . 0.579 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.1 pt? -83.21 -2.06 54.61 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.097 1.359 . . . . 0.0 114.438 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.41 2.99 11.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.469 1.907 . . . . 0.0 111.96 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -56.78 -44.38 81.81 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.619 1.968 . . . . 0.0 112.483 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -68.0 -45.28 74.52 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.977 0.511 . . . . 0.0 112.052 -176.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -64.84 -34.22 77.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.44 0.696 . . . . 0.0 112.305 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -68.49 -54.34 17.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.073 0.949 . . . . 0.0 111.464 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.56 -25.16 67.13 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.174 1.39 . . . . 0.0 113.073 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.44 -33.13 70.89 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.666 0.787 . . . . 0.0 111.314 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -73.71 -32.51 63.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.465 1.106 . . . . 0.0 111.604 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.9 -52.22 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.01 -42.0 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.613 -0.68 . . . . 0.0 111.108 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -61.42 -26.51 67.91 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.61 -33.11 23.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.561 0.744 . . . . 0.0 111.911 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 67.4 t -64.0 -41.97 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.648 1.179 . . . . 0.0 110.559 173.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.01 -6.52 8.82 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.98 1.712 . . . . 0.0 115.541 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -120.73 2.86 10.63 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -79.65 154.94 76.16 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 123.603 0.761 . . . . 0.0 109.866 173.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.44 113.92 3.91 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.353 2.035 . . . . 0.0 111.805 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.71 166.65 32.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.752 1.621 . . . . 0.0 111.966 176.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -131.14 17.1 5.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.366 1.466 . . . . 0.0 112.829 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 20.5 t -149.31 170.99 17.24 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.38 1.872 . . . . 0.0 110.401 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -99.93 2.24 43.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.872 0.869 . . . . 0.0 112.937 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.8 mtp -80.74 131.96 35.49 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.385 -0.822 . . . . 0.0 110.443 176.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.6 mm -114.71 104.15 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.922 0.889 . . . . 0.0 110.754 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -79.84 170.08 17.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.737 1.615 . . . . 0.0 113.737 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -53.55 -49.7 67.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.628 0.771 . . . . 0.0 112.06 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 15.2 m -59.02 -24.97 63.27 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.969 0.908 . . . . 0.0 113.193 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.67 -45.88 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.274 1.03 . . . . 0.0 112.043 175.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 23.9 m -69.51 -32.54 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 CA-C-N 119.796 1.18 . . . . 0.0 112.975 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.1 -21.9 66.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.947 1.699 . . . . 0.0 112.888 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.13 -31.07 11.23 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.61 1.564 . . . . 0.0 113.041 174.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.67 87.72 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.288 -0.882 . . . . 0.0 113.221 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.6 p -58.98 -26.93 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -66.28 -12.06 54.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.293 1.837 . . . . 0.0 113.454 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -117.64 -22.65 7.97 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.118 1.367 . . . . 0.0 113.255 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 98.5 p -80.0 -16.31 55.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.899 1.68 . . . . 0.0 112.315 -174.215 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.3 -36.93 74.07 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.53 1.132 . . . . 0.0 112.693 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 54.2 p -57.95 -34.83 70.34 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.66 69.13 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.41 -0.806 . . . . 0.0 112.217 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -64.66 -40.85 96.14 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.318 0.647 . . . . 0.0 110.744 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -60.02 -44.55 94.54 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.119 1.368 . . . . 0.0 112.42 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 43.1 mt -60.59 -36.46 78.6 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.133 0.973 . . . . 0.0 113.061 176.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -79.92 -7.12 58.58 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 175.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.45 11.97 57.68 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.211 1.386 . . . . 0.0 114.825 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.96 160.48 23.33 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.55 1.175 . . . . 0.0 111.901 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 98.0 mt -124.33 50.58 1.67 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.209 2.204 . . . . 0.0 109.758 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 45' ' ' LEU . . . . . 0.414 HD23 HD13 ' M' ' 50' ' ' ILE . 50.3 tp -47.39 120.98 3.53 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.399 1.88 . . . . 0.0 112.219 178.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -60.95 156.08 18.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.984 1.314 . . . . 0.0 112.918 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.86 -26.43 72.2 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.208 0.909 . . . . 0.0 114.725 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -75.67 -33.46 60.41 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.278 1.039 . . . . 0.0 110.889 173.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.01 -41.54 35.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.843 1.257 . . . . 0.0 112.462 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 50' ' ' ILE . . . . . 0.414 HD13 HD23 ' M' ' 45' ' ' LEU . 11.2 tp -63.36 -39.1 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-O 121.198 0.523 . . . . 0.0 111.081 174.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.27 -42.28 99.1 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.154 1.382 . . . . 0.0 111.473 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -58.13 -49.98 75.1 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.395 0.543 . . . . 0.0 111.971 176.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.27 2.9 pp -74.14 -20.31 60.27 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -34.89 79.32 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 120.665 1.575 . . . . 0.0 111.607 174.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.21 -33.55 70.02 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.586 -0.696 . . . . 0.0 112.008 174.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.83 -10.67 60.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.438 1.095 . . . . 0.0 113.67 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.5 mt -125.36 13.27 8.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.869 2.068 . . . . 0.0 112.211 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -53.53 -25.71 18.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.732 2.013 . . . . 0.0 115.192 -174.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -124.96 10.64 8.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.653 1.181 . . . . 0.0 113.243 -177.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mm -72.26 141.05 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.69 0.796 . . . . 0.0 111.02 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 10.4 m -56.01 130.46 43.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.898 1.679 . . . . 0.0 112.629 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.68 -31.32 62.3 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -174.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 pp -96.94 -7.05 34.17 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.515 1.126 . . . . 0.0 113.393 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -101.26 -12.97 18.28 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.449 1.5 . . . . 0.0 112.397 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 tp -54.39 -43.81 71.74 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.271 1.828 . . . . 0.0 112.181 -174.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -71.91 -25.69 62.01 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -85.82 -36.74 19.85 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.542 1.137 . . . . 0.0 111.433 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -63.2 -54.41 37.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.031 1.332 . . . . 0.0 111.286 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.85 -22.88 66.57 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.635 0.774 . . . . 0.0 112.925 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.61 -28.41 69.34 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.172 -0.955 . . . . 0.0 111.207 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.48 -37.19 79.91 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.543 -0.723 . . . . 0.0 111.1 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.59 -51.55 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.128 0.971 . . . . 0.0 108.754 174.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.77 -46.76 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.97 0.908 . . . . 0.0 110.848 177.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -63.32 -28.0 69.71 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 176.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.95 -25.73 34.59 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.282 0.946 . . . . 0.0 112.335 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.99 -38.9 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.377 -0.827 . . . . 0.0 109.462 172.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.64 -28.57 70.0 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -73.52 -15.54 61.3 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -89.01 129.1 49.47 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.345 1.058 . . . . 0.0 110.26 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.66 129.16 33.51 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.925 2.417 . . . . 0.0 112.541 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 pp -153.92 168.15 27.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.229 1.412 . . . . 0.0 112.504 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 80.4 p -139.47 9.8 2.47 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.313 1.445 . . . . 0.0 113.847 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 44.5 m -157.05 163.45 39.02 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.003 1.721 . . . . 0.0 111.098 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -93.33 4.92 53.19 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.62 1.168 . . . . 0.0 113.639 -175.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 10.3 ttm -90.1 82.58 6.07 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.643 1.177 . . . . 0.0 111.303 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 23.0 mm -68.22 138.75 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.442 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -122.91 166.47 14.98 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.484 1.113 . . . . 0.0 112.666 -174.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -57.8 -40.64 80.41 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.519 -0.738 . . . . 0.0 112.182 -174.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 21.8 t -59.16 -34.93 72.69 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 85.8 t -73.38 -43.99 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.925 0.89 . . . . 0.0 111.063 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.36 -39.82 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 121.546 -0.721 . . . . 0.0 112.042 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -59.0 -15.94 15.72 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.464 1.506 . . . . 0.0 114.096 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.2 -33.51 9.16 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.558 1.543 . . . . 0.0 111.81 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.62 87.23 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.429 1.091 . . . . 0.0 113.142 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.17 -29.11 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.542 1.137 . . . . 0.0 112.78 175.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -70.92 -21.35 62.37 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.881 1.272 . . . . 0.0 112.973 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -105.69 -8.14 18.05 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.097 1.359 . . . . 0.0 112.805 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 62.8 p -122.41 2.27 9.65 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -174.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.549 1.939 . . . . 0.0 112.363 176.85 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 11.1 tpt . . . . . 0 CA--C 1.545 0.777 0 CA-C-O 121.165 0.507 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.15 165.59 17.93 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 126.067 1.747 . . . . 0.0 111.01 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -46.59 -39.36 22.86 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 124.337 3.358 . . . . 0.0 115.895 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.98 -19.84 65.45 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -100.85 -36.8 8.94 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.405 1.482 . . . . 0.0 110.744 174.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.33 -48.22 74.5 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.297 1.839 . . . . 0.0 111.602 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.04 -49.27 66.65 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.934 1.293 . . . . 0.0 112.351 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 50.6 m -63.79 -42.4 97.74 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 49.7 mmm-85 -61.35 -46.98 87.95 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.078 0.951 . . . . 0.0 111.211 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.89 74.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.809 1.244 . . . . 0.0 113.184 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.74 -43.64 97.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.438 0.563 . . . . 0.0 110.63 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 48.6 m -59.45 -36.93 76.86 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.39 96.59 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 38' ' ' PHE . . . . . 0.434 ' CE1' HD21 ' M' ' 69' ' ' LEU . 31.9 m-85 -69.54 -41.83 75.42 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.434 0.694 . . . . 0.0 111.168 173.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.91 -37.98 84.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.96 -24.93 66.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.53 1.132 . . . . 0.0 113.388 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -97.36 -1.37 44.65 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.553 1.541 . . . . 0.0 113.794 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.57 1.07 74.89 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 125.19 1.376 . . . . 0.0 114.752 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -85.13 167.98 15.24 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 122.889 1.328 . . . . 0.0 111.621 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.94 158.43 40.26 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 128.075 2.55 . . . . 0.0 106.975 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 33.5 tp -137.71 125.87 23.03 Favored 'General case' 0 C--O 1.238 0.466 0 O-C-N 121.673 -0.642 . . . . 0.0 111.974 -173.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -57.08 156.57 6.91 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.909 1.684 . . . . 0.0 113.82 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.1 -33.63 85.93 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 123.853 0.739 . . . . 0.0 114.318 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -73.23 -28.23 62.04 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.189 -1.183 . . . . 0.0 111.852 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.95 -43.08 20.27 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.541 1.136 . . . . 0.0 112.861 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 tp -58.8 -44.91 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.496 0.718 . . . . 0.0 110.359 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.76 -43.86 94.1 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.324 1.45 . . . . 0.0 112.028 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -58.32 -53.67 55.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.285 0.634 . . . . 0.0 111.597 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.277 4.0 pp -74.37 -24.2 59.12 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 178.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -63.2 -40.7 98.25 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.447 -0.783 . . . . 0.0 110.256 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.99 -37.05 67.16 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.557 -0.714 . . . . 0.0 112.296 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.49 65.39 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -110.49 7.47 22.67 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.155 1.782 . . . . 0.0 112.66 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -51.61 -30.0 19.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.129 1.772 . . . . 0.0 115.162 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 45.8 m -116.87 6.32 13.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.767 1.227 . . . . 0.0 113.58 -176.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.09 142.96 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.982 0.913 . . . . 0.0 110.633 174.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 22.5 m -52.9 129.46 30.32 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.009 1.723 . . . . 0.0 112.901 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.72 -32.69 67.66 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.611 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -88.03 -4.24 58.81 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.887 1.275 . . . . 0.0 113.754 177.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -114.12 -6.91 13.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.184 1.794 . . . . 0.0 112.567 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 64.5 tp -57.6 -41.95 82.26 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.837 1.655 . . . . 0.0 111.887 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.31 -46.03 71.38 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.303 0.641 . . . . 0.0 111.871 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.38 -34.53 78.54 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.183 0.993 . . . . 0.0 112.868 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -68.82 -53.93 18.7 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.02 1.328 . . . . 0.0 112.202 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 69' ' ' LEU . . . . . 0.434 HD21 ' CE1' ' M' ' 38' ' ' PHE . 6.1 tt -60.97 -26.2 67.38 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.907 1.283 . . . . 0.0 111.878 178.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.38 -26.82 68.68 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.075 -1.016 . . . . 0.0 112.318 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.97 -29.41 64.21 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.496 -0.753 . . . . 0.0 111.79 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 52.3 mt -69.13 -50.82 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.16 -43.51 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.361 0.664 . . . . 0.0 111.502 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -60.62 -25.17 66.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.7 -40.84 18.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.91 0.777 . . . . 0.0 111.387 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.85 -40.09 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.891 0.876 . . . . 0.0 111.136 173.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.0 -7.64 5.71 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -125.97 10.64 7.62 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.497 1.519 . . . . 0.0 114.033 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -99.23 154.56 37.24 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 125.392 1.477 . . . . 0.0 111.678 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.28 126.07 11.96 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.007 2.471 . . . . 0.0 111.594 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.03 167.62 29.82 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.254 1.821 . . . . 0.0 112.0 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 80.1 p -138.72 8.05 2.55 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.044 1.338 . . . . 0.0 114.179 -174.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.6 t -153.28 159.74 42.6 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.312 1.845 . . . . 0.0 110.559 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -77.83 -5.25 50.24 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.489 -0.757 . . . . 0.0 112.181 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 52.1 tpp -83.13 104.19 13.12 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.869 1.267 . . . . 0.0 110.749 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mm -80.32 143.04 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 125.316 1.446 . . . . 0.0 110.243 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -126.12 165.95 17.93 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.455 1.502 . . . . 0.0 113.226 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -54.93 -44.68 74.48 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.426 -0.796 . . . . 0.0 111.872 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 17.9 t -57.48 -33.81 68.38 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.445 0.698 . . . . 0.0 112.803 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.77 -46.71 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.883 0.873 . . . . 0.0 111.018 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.7 -38.44 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.024 0.93 . . . . 0.0 112.659 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -60.15 -21.5 61.71 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.121 1.769 . . . . 0.0 113.307 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.91 -32.75 10.06 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.91 1.684 . . . . 0.0 112.5 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.88 80.02 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.1 0.96 . . . . 0.0 113.506 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.64 -30.87 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.895 0.878 . . . . 0.0 112.746 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -62.88 -33.41 75.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.601 1.161 . . . . 0.0 112.36 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -78.43 -32.39 48.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.272 1.029 . . . . 0.0 112.133 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 24.1 p -73.54 -22.29 60.14 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.97 2.108 . . . . 0.0 113.539 -174.302 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 88.0 mmm . . . . . 0 N--CA 1.467 0.418 0 CA-C-O 122.224 1.012 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.57 162.29 27.81 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 127.122 2.169 . . . . 0.0 109.748 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.31 -41.07 52.02 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 123.819 3.013 . . . . 0.0 114.436 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.09 -41.52 97.26 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.506 -0.746 . . . . 0.0 112.649 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.29 -36.93 82.55 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.201 1.0 . . . . 0.0 112.123 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 tp -70.55 -45.62 65.11 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.034 1.733 . . . . 0.0 111.603 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -71.32 -26.89 63.04 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.862 1.265 . . . . 0.0 113.934 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 50.1 m -78.05 33.99 0.19 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.279 1.431 . . . . 0.0 114.343 -177.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -45.22 -50.69 11.42 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.299 1.84 . . . . 0.0 113.66 -174.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.81 -53.46 8.45 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.828 0.851 . . . . 0.0 112.967 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.09 -44.93 87.27 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.732 0.413 . . . . 0.0 111.975 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -60.1 -37.26 79.45 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.42 0.688 . . . . 0.0 112.26 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.65 98.64 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.337 -0.852 . . . . 0.0 112.327 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -67.15 -42.36 84.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.289 0.636 . . . . 0.0 111.168 173.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.62 -38.79 85.88 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.507 1.123 . . . . 0.0 113.648 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 56.5 mt -60.69 -30.65 70.07 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.467 1.107 . . . . 0.0 112.59 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -87.15 -7.29 58.14 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.91 1.284 . . . . 0.0 113.452 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.3 -0.26 59.99 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.953 1.74 . . . . 0.0 114.584 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.79 165.44 16.01 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.2 1.4 . . . . 0.0 112.13 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 88.7 mt -131.93 94.56 3.51 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.984 1.714 . . . . 0.0 109.404 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.43 121.63 13.15 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.074 0.95 . . . . 0.0 110.875 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -63.93 159.98 18.67 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.074 1.35 . . . . 0.0 113.62 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.49 -31.88 81.63 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 123.896 0.76 . . . . 0.0 114.034 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -75.55 -22.7 56.83 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.065 -1.256 . . . . 0.0 112.043 172.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.72 -41.09 12.78 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.147 1.379 . . . . 0.0 113.05 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 tp -55.68 -43.67 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 123.832 0.853 . . . . 0.0 110.852 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -61.57 -43.8 98.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.254 1.422 . . . . 0.0 112.192 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -60.38 -52.56 64.74 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.403 0.681 . . . . 0.0 111.97 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.284 3.4 pp -73.43 -23.37 60.12 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -62.61 -39.18 92.95 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.158 0.89 . . . . 0.0 110.525 173.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -74.25 -36.26 63.86 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.422 0.689 . . . . 0.0 112.511 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.02 -19.09 64.11 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 62.2 mt -120.26 14.26 12.09 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.597 1.959 . . . . 0.0 111.781 -175.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -61.29 -16.41 45.43 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 74.5 p -116.71 -0.81 12.25 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.942 1.697 . . . . 0.0 113.7 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mm -74.33 141.21 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.377 1.071 . . . . 0.0 111.05 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m -56.4 127.79 32.79 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.936 1.695 . . . . 0.0 112.845 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.4 -24.88 58.11 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -174.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.609 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -98.53 -10.32 23.66 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.546 1.138 . . . . 0.0 113.629 177.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -97.86 -17.99 18.97 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.596 1.558 . . . . 0.0 111.714 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 58.5 tp -53.89 -37.67 63.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.654 1.982 . . . . 0.0 112.777 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -68.22 -27.22 66.18 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -92.16 -36.0 13.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.165 1.386 . . . . 0.0 111.933 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -61.41 -50.24 73.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.41 1.084 . . . . 0.0 111.345 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.01 -20.98 66.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.392 1.077 . . . . 0.0 112.752 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.13 -24.97 67.89 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 120.954 -1.092 . . . . 0.0 111.905 175.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -72.06 -32.34 66.99 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.204 -0.935 . . . . 0.0 111.467 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.78 -50.84 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 84.8 mt -53.1 -48.52 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.798 0.839 . . . . 0.0 111.193 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -61.85 -26.13 67.94 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.48 -31.59 26.44 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.863 0.865 . . . . 0.0 112.301 174.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.66 -38.79 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.703 1.201 . . . . 0.0 110.45 173.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -58.98 -12.7 4.9 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -116.99 3.89 12.8 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -87.27 152.61 52.96 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.928 0.891 . . . . 0.0 110.815 173.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.41 125.49 10.21 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.501 2.134 . . . . 0.0 111.436 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 pp -155.61 168.18 28.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.636 1.574 . . . . 0.0 112.093 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -137.28 14.72 3.01 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.31 1.444 . . . . 0.0 112.932 -175.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -150.32 158.62 44.36 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.416 1.886 . . . . 0.0 110.55 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -80.14 -3.57 49.39 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 1.3 mmt -73.44 128.49 35.65 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.543 -0.723 . . . . 0.0 110.019 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 mm -109.09 99.38 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.857 0.863 . . . . 0.0 109.503 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.87 164.22 26.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.414 1.485 . . . . 0.0 113.988 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.42 -47.16 66.5 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.903 1.281 . . . . 0.0 111.99 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 19.4 m -64.88 -26.19 68.22 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.47 1.108 . . . . 0.0 113.575 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.26 -41.75 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.172 0.989 . . . . 0.0 110.148 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.96 -35.85 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 121.432 -0.793 . . . . 0.0 111.731 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -56.76 -25.95 56.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.981 1.312 . . . . 0.0 113.343 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.64 -30.71 12.68 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.294 1.438 . . . . 0.0 113.15 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.4 81.74 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.156 -0.965 . . . . 0.0 113.196 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.97 -27.82 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.09 -1.006 . . . . 0.0 113.151 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -67.55 -20.68 65.44 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.521 1.529 . . . . 0.0 112.706 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -100.45 -35.36 9.58 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.025 1.73 . . . . 0.0 111.263 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 28.2 p -72.44 -15.95 61.82 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.757 1.623 . . . . 0.0 113.195 -172.855 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 4.8 ttp . . . . . 0 CA--C 1.544 0.72 0 CA-C-O 121.107 0.48 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.46 157.25 59.7 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 126.166 1.786 . . . . 0.0 110.379 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -62.41 -29.67 79.47 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.467 2.112 . . . . 0.0 111.966 174.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -52.44 -22.35 4.65 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.355 1.862 . . . . 0.0 113.829 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -59.01 -32.54 69.81 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.745 1.618 . . . . 0.0 113.473 174.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 pp -136.48 -10.62 1.89 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.674 1.59 . . . . 0.0 115.261 -174.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -46.74 -42.37 16.65 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.996 1.718 . . . . 0.0 114.381 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 19.5 m -55.69 -22.44 23.27 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -56.51 -41.22 76.33 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 120.104 1.32 . . . . 0.0 112.383 174.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.81 72.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.664 0.786 . . . . 0.0 112.331 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -42.74 99.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.928 0.891 . . . . 0.0 111.699 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -58.45 -40.34 82.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.663 1.185 . . . . 0.0 112.637 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.33 98.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.497 0.719 . . . . 0.0 112.853 175.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -70.05 -41.1 74.64 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.204 -0.935 . . . . 0.0 111.229 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -57.26 -49.92 74.52 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.384 1.474 . . . . 0.0 112.226 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.7 -26.41 65.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -71.76 -32.62 67.88 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.768 1.227 . . . . 0.0 112.298 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.02 4.42 6.02 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.237 1.875 . . . . 0.0 114.887 176.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -99.55 167.0 10.88 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.631 1.572 . . . . 0.0 112.175 -174.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.57 83.1 2.11 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.033 1.733 . . . . 0.0 109.166 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.37 115.82 3.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.277 1.031 . . . . 0.0 110.736 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -64.25 162.2 15.13 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.739 1.616 . . . . 0.0 113.303 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.85 -43.01 99.79 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 123.814 0.721 . . . . 0.0 113.427 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 23.6 pm0 -65.86 -24.25 66.83 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.47 -1.017 . . . . 0.0 113.144 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.36 -44.16 10.4 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.656 1.182 . . . . 0.0 112.698 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -43.32 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.615 0.766 . . . . 0.0 109.765 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -58.93 -44.19 91.29 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.811 1.644 . . . . 0.0 111.777 174.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.56 -53.2 60.38 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 122.973 0.509 . . . . 0.0 112.013 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.297 3.1 pp -71.67 -21.17 61.84 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 177.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.8 m -63.97 -39.11 93.39 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.019 0.928 . . . . 0.0 109.902 172.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -75.4 -35.54 61.0 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.577 -0.702 . . . . 0.0 112.045 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.12 -19.67 65.65 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -115.7 12.36 15.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.851 1.66 . . . . 0.0 112.906 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -60.87 -18.0 53.64 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 24.4 m -109.53 12.25 24.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.248 1.819 . . . . 0.0 113.033 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.21 142.68 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.262 1.425 . . . . 0.0 110.622 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 39.6 m -53.41 129.22 31.39 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.644 1.978 . . . . 0.0 112.869 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.09 -32.83 68.45 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.547 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.3 pt? -85.02 -4.19 59.06 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.726 1.21 . . . . 0.0 114.197 176.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -114.93 -14.79 11.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.403 1.481 . . . . 0.0 112.74 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.0 -43.04 63.46 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.625 1.57 . . . . 0.0 111.937 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -69.56 -26.26 64.4 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -88.27 -37.68 15.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.546 1.138 . . . . 0.0 111.815 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -60.79 -49.43 77.53 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.831 1.252 . . . . 0.0 111.221 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.86 -19.44 64.14 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.069 1.347 . . . . 0.0 113.242 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.88 -28.29 69.4 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.07 -1.019 . . . . 0.0 111.645 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -71.92 -34.34 68.99 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.936 0.895 . . . . 0.0 111.632 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 61.0 mt -64.66 -50.89 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 173.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -52.59 -50.14 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.163 0.985 . . . . 0.0 111.214 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -63.48 -23.49 67.42 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.79 -26.44 25.77 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.359 0.981 . . . . 0.0 112.486 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.42 -39.5 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.964 1.306 . . . . 0.0 109.892 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -62.59 -8.41 6.39 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.55 6.63 12.53 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -91.18 155.11 44.86 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.602 1.161 . . . . 0.0 111.42 174.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.16 133.45 17.95 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.801 2.334 . . . . 0.0 111.304 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.34 167.23 27.88 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.21 1.804 . . . . 0.0 111.847 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 34.4 m -124.62 2.14 8.25 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.848 1.259 . . . . 0.0 114.079 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 93.8 p -152.85 175.18 13.18 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.003 1.721 . . . . 0.0 110.706 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -85.44 6.58 26.1 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.324 -0.86 . . . . 0.0 113.188 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -75.64 131.98 40.3 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.37 -0.831 . . . . 0.0 110.03 174.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.4 mm -113.76 98.38 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 123.956 0.903 . . . . 0.0 108.671 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.78 168.76 19.52 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.593 1.157 . . . . 0.0 113.886 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -51.0 -49.9 59.51 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.127 0.971 . . . . 0.0 111.459 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -58.56 -30.74 67.37 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.031 0.932 . . . . 0.0 112.873 -175.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.15 -43.65 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.658 1.183 . . . . 0.0 111.159 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -67.87 -37.81 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 121.276 -0.89 . . . . 0.0 112.112 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.27 -20.46 59.13 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.293 1.837 . . . . 0.0 113.127 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.12 -33.8 10.31 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.152 1.781 . . . . 0.0 112.334 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.49 82.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.104 0.962 . . . . 0.0 113.318 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.2 -30.7 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.554 1.141 . . . . 0.0 112.543 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -65.26 -32.98 74.92 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.392 1.077 . . . . 0.0 111.784 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -87.37 -15.43 37.88 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.689 1.996 . . . . 0.0 113.5 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 57.7 p -125.8 -5.94 6.86 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.008 1.723 . . . . 0.0 113.606 174.718 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.96 155.03 69.02 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 124.828 1.251 . . . . 0.0 112.615 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -47.75 -30.68 13.34 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 125.03 3.82 . . . . 0.0 116.308 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.08 -23.37 62.0 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.808 -1.183 . . . . 0.0 113.42 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -79.8 -13.63 59.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 pp -118.38 -11.22 10.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.37 1.468 . . . . 0.0 114.159 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -53.45 -53.71 47.46 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.798 1.639 . . . . 0.0 112.293 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 16.0 m -66.82 -30.01 70.08 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.65 -44.95 73.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.211 1.004 . . . . 0.0 111.519 175.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.15 97.85 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.74 1.216 . . . . 0.0 112.131 174.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.07 -44.15 96.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.884 0.874 . . . . 0.0 111.936 174.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 70.7 m -60.35 -35.46 75.72 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.111 0.965 . . . . 0.0 112.799 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.92 95.75 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.996 -1.065 . . . . 0.0 112.697 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -62.4 -45.68 92.04 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.541 -0.724 . . . . 0.0 110.278 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -57.14 -41.92 80.02 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.327 1.451 . . . . 0.0 113.162 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 57.0 mt -64.77 -35.05 79.84 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.466 1.106 . . . . 0.0 113.27 175.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -77.16 -12.72 59.98 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.87 5.72 30.86 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.978 1.752 . . . . 0.0 114.841 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.91 166.29 12.8 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 112.443 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 90.7 mt -124.98 81.54 1.97 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.586 1.954 . . . . 0.0 109.339 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 tp -61.63 115.75 4.19 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.394 1.078 . . . . 0.0 110.8 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -60.39 157.19 14.32 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.296 1.438 . . . . 0.0 112.476 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.41 -30.09 75.26 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 123.425 0.536 . . . . 0.0 113.694 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.2 -21.1 59.96 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.291 -1.123 . . . . 0.0 113.079 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.45 -37.29 10.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.934 1.293 . . . . 0.0 112.448 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 tp -61.03 -39.78 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 121.36 -0.838 . . . . 0.0 111.372 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.78 -20.77 63.46 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -74.49 -52.46 11.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.66 0.784 . . . . 0.0 110.954 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.25 2.1 pp -84.86 -16.37 41.48 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -175.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 5.7 t -66.08 -34.31 77.78 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.013 1.278 . . . . 0.0 110.862 173.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -69.73 -34.07 73.34 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.992 -1.068 . . . . 0.0 111.539 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.34 -14.69 63.17 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.286 1.034 . . . . 0.0 113.005 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 94.8 mt -105.78 -2.08 23.59 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.148 1.779 . . . . 0.0 113.331 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -55.22 -26.54 40.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.041 1.336 . . . . 0.0 113.926 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 38.9 m -115.82 22.98 12.63 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.571 1.549 . . . . 0.0 112.48 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mm -116.29 144.28 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.87 1.668 . . . . 0.0 110.689 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 30.4 m -52.72 134.96 36.05 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.028 2.131 . . . . 0.0 113.542 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.51 -16.28 45.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -108.51 4.71 24.48 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.282 1.433 . . . . 0.0 113.447 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -126.51 -4.72 6.57 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.531 1.532 . . . . 0.0 113.257 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 pp -58.95 -36.22 74.43 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.016 0.926 . . . . 0.0 112.629 -174.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.6 -45.12 63.08 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.228 0.611 . . . . 0.0 111.338 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.74 -36.83 84.31 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.809 0.843 . . . . 0.0 112.341 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -66.18 -55.26 17.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.752 1.221 . . . . 0.0 110.879 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.0 -19.83 65.99 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.364 1.065 . . . . 0.0 113.08 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.31 -32.16 68.19 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.243 -0.911 . . . . 0.0 110.819 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.29 -37.6 77.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.145 0.978 . . . . 0.0 111.121 176.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 49.6 mt -63.28 -51.62 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.453 1.101 . . . . 0.0 108.868 174.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 98.9 mt -56.39 -44.09 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.635 0.774 . . . . 0.0 111.213 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.22 -25.47 68.35 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.15 -30.16 21.26 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.435 1.016 . . . . 0.0 112.085 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.18 -42.37 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.294 1.438 . . . . 0.0 109.795 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.34 -24.7 67.48 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -81.49 -15.23 55.62 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -81.08 128.85 69.53 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 124.128 0.971 . . . . 0.0 110.115 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.41 132.02 49.69 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.594 2.196 . . . . 0.0 113.174 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 pp -157.22 170.28 22.84 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.501 1.52 . . . . 0.0 112.148 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.9 p -137.38 7.63 2.85 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.239 1.416 . . . . 0.0 113.986 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 46.8 m -157.65 161.97 38.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.444 1.898 . . . . 0.0 110.752 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -80.62 1.77 28.44 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 21.9 ttm -82.42 130.46 35.11 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.083 0.953 . . . . 0.0 111.303 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -115.3 115.43 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.504 1.122 . . . . 0.0 110.559 -174.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -94.21 171.37 8.87 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.201 1.4 . . . . 0.0 113.727 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -56.27 -45.86 79.92 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.474 -0.766 . . . . 0.0 112.127 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 9.4 t -54.63 -32.91 59.76 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 87.0 t -74.86 -46.83 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.891 0.877 . . . . 0.0 111.944 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 28.0 m -70.61 -31.99 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 119.881 1.219 . . . . 0.0 113.141 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -63.69 -20.12 65.46 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.979 1.711 . . . . 0.0 112.958 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.23 -31.75 11.22 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.754 1.622 . . . . 0.0 112.545 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.45 82.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.123 -0.986 . . . . 0.0 113.26 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.1 -28.39 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.794 0.837 . . . . 0.0 112.867 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -66.62 -16.95 64.56 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.51 1.524 . . . . 0.0 113.203 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -116.9 -6.59 11.46 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.545 1.538 . . . . 0.0 113.277 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 52.4 p -122.6 1.16 9.46 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -174.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.254 1.325 0 C-N-CA 126.664 1.985 . . . . 0.0 111.906 174.546 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 121.66 0.743 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.83 153.04 92.1 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 125.398 1.479 . . . . 0.0 112.409 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.13 -26.96 42.21 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.247 2.631 . . . . 0.0 112.691 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.8 -33.26 72.72 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.208 -0.933 . . . . 0.0 112.764 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.73 -40.08 69.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.806 0.842 . . . . 0.0 111.741 176.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.49 -45.58 86.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.137 1.375 . . . . 0.0 110.259 174.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.85 -44.9 93.86 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.895 1.278 . . . . 0.0 111.451 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 64.5 m -60.54 -30.36 69.72 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -60.86 -45.42 94.59 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.791 1.178 . . . . 0.0 111.476 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.75 -44.25 50.69 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.45 0.7 . . . . 0.0 112.273 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -35.69 70.13 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.736 -1.228 . . . . 0.0 112.351 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -57.72 -34.35 69.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.255 1.022 . . . . 0.0 113.726 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.18 78.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.15 0.886 . . . . 0.0 112.247 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -66.38 -43.03 87.04 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.529 0.731 . . . . 0.0 110.968 173.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -57.48 -51.17 70.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.657 1.583 . . . . 0.0 112.337 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.04 -27.23 65.47 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -68.46 -35.01 76.96 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.429 1.092 . . . . 0.0 111.825 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.72 2.25 4.42 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.157 1.837 . . . . 0.0 114.946 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.39 165.56 13.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.077 1.351 . . . . 0.0 112.232 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 95.1 mt -128.22 56.19 1.63 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.435 1.894 . . . . 0.0 110.502 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 42.9 tp -43.07 119.67 1.59 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.022 2.129 . . . . 0.0 112.893 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -68.43 159.79 30.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.25 1.42 . . . . 0.0 112.512 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.98 -26.98 72.46 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 123.903 0.764 . . . . 0.0 114.926 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -79.17 -31.88 44.05 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.573 1.187 . . . . 0.0 111.062 173.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.78 49.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.753 1.221 . . . . 0.0 112.532 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.4 tp -60.96 -44.44 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 121.687 -0.633 . . . . 0.0 110.831 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.49 -44.92 89.57 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.723 1.609 . . . . 0.0 111.52 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -56.65 -54.99 39.73 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.944 0.898 . . . . 0.0 111.809 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.27 3.1 pp -74.62 -23.03 58.64 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 21.2 m -65.32 -42.0 93.42 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.698 0.799 . . . . 0.0 110.32 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.75 -36.5 75.85 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.622 -0.674 . . . . 0.0 112.121 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.85 -12.63 61.03 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 94.7 mt -123.04 10.45 9.43 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.455 1.902 . . . . 0.0 112.558 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -59.76 -24.57 64.18 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.093 1.357 . . . . 0.0 113.666 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 72.6 p -104.65 -4.62 22.27 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.207 1.803 . . . . 0.0 114.352 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -73.82 142.56 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.281 1.032 . . . . 0.0 111.403 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 31.0 m -54.99 126.3 23.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.253 1.821 . . . . 0.0 112.269 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.02 -34.38 73.28 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -174.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.592 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.5 pt? -79.26 -6.84 57.57 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.562 1.145 . . . . 0.0 113.949 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -108.43 -5.09 16.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.819 1.648 . . . . 0.0 112.64 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 66.5 tp -52.94 -43.84 66.61 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.313 1.445 . . . . 0.0 111.35 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -67.33 -19.0 65.39 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -102.56 -34.19 9.2 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.835 1.254 . . . . 0.0 111.832 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -68.98 -50.01 52.76 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.34 0.656 . . . . 0.0 112.079 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.45 -26.78 68.69 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.537 1.135 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.84 -30.79 71.77 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.452 0.701 . . . . 0.0 111.75 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.61 -38.04 86.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.758 0.823 . . . . 0.0 111.447 175.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 52.3 mt -66.17 -51.08 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.518 0.727 . . . . 0.0 109.105 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.59 -45.96 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.807 0.731 . . . . 0.0 111.013 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.7 -25.51 68.2 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.196 -0.94 . . . . 0.0 113.495 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.07 -29.2 23.57 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.457 1.026 . . . . 0.0 112.391 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.25 -41.71 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.821 1.248 . . . . 0.0 109.635 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -65.33 -22.79 66.86 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.94 -16.08 57.44 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -82.95 126.81 71.76 Favored Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 124.601 1.16 . . . . 0.0 109.8 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.94 130.76 42.43 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.09 2.526 . . . . 0.0 112.776 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -155.26 169.25 24.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.242 1.417 . . . . 0.0 112.628 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 78.9 p -138.1 6.13 2.59 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.509 1.524 . . . . 0.0 113.83 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 17.6 t -151.91 164.1 37.83 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.434 1.893 . . . . 0.0 110.485 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -94.58 6.6 48.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.129 0.972 . . . . 0.0 113.485 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 43.1 mmm -78.83 126.59 30.91 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.475 -0.766 . . . . 0.0 109.87 173.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 39.7 mm -111.43 102.87 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.366 0.666 . . . . 0.0 109.92 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.61 169.53 17.53 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.888 1.275 . . . . 0.0 113.676 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -55.84 -45.47 78.4 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.602 0.761 . . . . 0.0 111.912 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 9.8 t -55.27 -32.66 62.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.99 -46.67 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.901 0.881 . . . . 0.0 112.321 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.96 -32.34 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-N 119.453 1.024 . . . . 0.0 112.832 175.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -63.14 -19.88 64.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.646 1.578 . . . . 0.0 112.875 174.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.59 -31.16 10.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.846 1.658 . . . . 0.0 113.149 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.57 76.04 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.934 -1.104 . . . . 0.0 113.55 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.89 -29.27 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.594 -0.692 . . . . 0.0 112.273 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -64.51 -20.4 66.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.269 1.027 . . . . 0.0 113.155 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -108.25 -7.37 15.98 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.368 1.467 . . . . 0.0 113.625 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 67.8 p -130.21 -0.98 4.57 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -173.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.892 2.077 . . . . 0.0 114.299 176.662 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.7 153.44 61.52 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 128.697 2.799 . . . . 0.0 106.918 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -62.5 -24.94 75.6 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 C-N-CA 122.183 1.922 . . . . 0.0 113.476 -174.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -60.48 -24.66 65.44 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.059 -1.026 . . . . 0.0 113.498 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -77.28 -4.68 46.18 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.761 1.224 . . . . 0.0 113.584 174.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 18.4 tp -129.42 -37.83 1.59 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.044 1.738 . . . . 0.0 112.884 -173.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -52.89 -26.06 13.65 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.084 2.154 . . . . 0.0 115.578 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 44.3 m -121.09 -24.83 5.44 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.133 0.973 . . . . 0.0 113.318 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -66.87 -41.13 87.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.118 0.967 . . . . 0.0 112.447 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.94 67.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.468 0.707 . . . . 0.0 112.506 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -42.09 95.61 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.441 -0.787 . . . . 0.0 111.41 174.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.3 m -62.03 -36.63 82.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.379 1.071 . . . . 0.0 112.446 174.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.17 75.06 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.103 -0.998 . . . . 0.0 112.149 174.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -56.67 -44.88 81.83 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.066 0.848 . . . . 0.0 110.588 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -57.93 -43.56 86.35 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.888 1.675 . . . . 0.0 113.261 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.41 -33.72 76.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.109 0.964 . . . . 0.0 113.385 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.54 -12.06 59.97 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 176.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.78 -3.85 34.18 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 126.129 1.823 . . . . 0.0 114.386 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.65 174.81 8.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.467 1.507 . . . . 0.0 111.473 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 88.2 mt -135.92 155.18 50.67 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.667 1.987 . . . . 0.0 107.552 173.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 tp -126.12 124.13 39.85 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 tpt85 -54.14 -24.74 18.99 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -171.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.67 -19.9 37.91 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.478 1.037 . . . . 0.0 113.362 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -99.84 -31.02 11.71 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.709 1.204 . . . . 0.0 109.896 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.63 76.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.383 1.073 . . . . 0.0 113.073 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 tp -59.7 -41.48 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.604 0.762 . . . . 0.0 111.111 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -60.23 -45.11 94.35 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.547 1.539 . . . . 0.0 111.647 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -58.62 -53.16 61.5 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.61 0.764 . . . . 0.0 111.693 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.251 4.4 pp -73.1 -23.92 60.57 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 177.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 18.3 m -63.11 -40.56 98.0 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.391 -0.818 . . . . 0.0 110.369 172.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.24 -32.99 67.19 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.245 -0.91 . . . . 0.0 112.501 174.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.9 -20.71 55.9 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 80.8 mt -118.86 8.54 11.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.487 1.515 . . . . 0.0 113.423 -174.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -55.48 -20.81 13.86 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 47.7 m -112.35 -2.97 14.64 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.202 1.401 . . . . 0.0 113.555 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mm -76.46 136.66 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.942 0.897 . . . . 0.0 109.901 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 18.2 m -53.37 128.21 27.65 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.913 1.685 . . . . 0.0 113.124 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.86 -35.22 74.33 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.588 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.2 pt? -75.86 -2.63 31.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.341 1.456 . . . . 0.0 114.44 174.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -123.44 -2.33 8.49 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.725 2.01 . . . . 0.0 112.34 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.38 -47.08 86.8 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 125.172 1.389 . . . . 0.0 111.859 -174.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -67.37 -40.35 85.73 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.291 0.496 . . . . 0.0 112.14 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.12 -37.86 88.97 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.497 -0.752 . . . . 0.0 112.363 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -68.24 -54.38 18.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.173 0.989 . . . . 0.0 111.101 173.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.47 -30.31 68.44 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.25 1.42 . . . . 0.0 111.983 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.78 -30.38 70.0 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.428 -0.795 . . . . 0.0 112.065 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -66.32 -36.62 83.39 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.492 -0.755 . . . . 0.0 111.091 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.51 -52.25 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.025 0.93 . . . . 0.0 108.553 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 87.3 mt -56.03 -42.78 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.755 0.822 . . . . 0.0 111.228 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -66.31 -27.25 67.77 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.46 -32.12 32.71 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.099 0.96 . . . . 0.0 112.407 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.32 -40.02 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.531 1.132 . . . . 0.0 110.599 173.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.94 -22.56 60.21 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 174.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -81.79 -13.78 57.26 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -88.47 149.44 44.45 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 124.612 1.165 . . . . 0.0 111.036 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.19 131.57 16.77 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.411 2.074 . . . . 0.0 111.142 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 pp -156.51 168.17 28.18 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.468 1.507 . . . . 0.0 112.617 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.7 p -134.49 9.28 3.68 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.225 1.41 . . . . 0.0 113.923 -174.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -150.94 157.75 43.29 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.433 1.893 . . . . 0.0 110.216 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -78.15 -4.2 46.34 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.706 -0.621 . . . . 0.0 112.489 174.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 56.4 tpp -77.51 130.97 37.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.972 0.909 . . . . 0.0 111.336 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.8 mm -115.42 136.37 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 125.943 1.697 . . . . 0.0 109.559 -175.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -118.83 165.92 13.44 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.982 1.313 . . . . 0.0 113.184 -174.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -56.34 -41.06 75.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.969 0.908 . . . . 0.0 112.29 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -62.77 -27.91 69.61 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.54 -43.93 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.79 0.836 . . . . 0.0 110.903 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.64 -37.06 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.499 -0.751 . . . . 0.0 112.053 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -58.13 -24.64 59.53 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.024 1.329 . . . . 0.0 113.394 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.45 -34.58 10.96 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.201 1.4 . . . . 0.0 112.81 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.85 78.97 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.084 -1.01 . . . . 0.0 113.309 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.88 -31.07 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.404 -0.81 . . . . 0.0 112.609 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -69.3 -27.23 65.21 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.159 1.384 . . . . 0.0 112.472 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -92.33 -9.76 40.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.167 1.787 . . . . 0.0 112.839 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 61.2 p -126.64 5.98 6.8 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -173.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.995 1.718 . . . . 0.0 112.381 179.145 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 81.0 mtp . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 121.209 0.528 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 143.0 98.54 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 123.74 0.816 . . . . 0.0 111.788 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -48.68 -35.97 31.36 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 124.722 3.615 . . . . 0.0 115.376 175.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.53 -42.19 62.04 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.554 1.142 . . . . 0.0 112.531 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -67.04 -28.12 67.96 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.633 0.773 . . . . 0.0 112.259 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -75.61 -8.14 56.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.758 1.223 . . . . 0.0 113.306 173.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -121.22 -81.92 0.64 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.285 1.834 . . . . 0.0 111.22 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 74.2 m 45.2 20.95 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.612 2.365 . . . . 0.0 116.737 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -60.81 -48.36 82.17 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 120.861 -1.149 . . . . 0.0 111.326 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.93 -45.18 86.88 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.632 1.173 . . . . 0.0 112.153 177.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -44.07 97.87 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.49 -0.756 . . . . 0.0 111.561 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 33.6 t -61.22 -39.91 92.02 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.185 0.994 . . . . 0.0 112.318 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.33 96.72 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.629 -0.669 . . . . 0.0 112.253 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -64.87 -44.64 89.04 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.248 -0.908 . . . . 0.0 110.625 173.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.6 -50.26 73.7 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.35 -24.25 65.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 72.4 mmt-85 -81.67 -11.58 59.02 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.321 1.449 . . . . 0.0 113.086 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.4 2.4 27.72 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.712 1.625 . . . . 0.0 115.673 173.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -99.81 168.7 9.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.199 1.399 . . . . 0.0 112.742 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.83 82.56 2.08 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.501 1.92 . . . . 0.0 109.61 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.82 121.63 14.48 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.681 1.192 . . . . 0.0 111.389 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -62.65 159.46 16.05 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.899 1.28 . . . . 0.0 113.308 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.8 -26.01 72.01 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.302 0.953 . . . . 0.0 114.749 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.0 -31.55 56.56 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.164 -1.198 . . . . 0.0 110.761 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.82 -41.75 22.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.266 1.426 . . . . 0.0 113.193 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.2 tp -55.33 -43.99 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.605 0.762 . . . . 0.0 110.984 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -60.93 -43.48 98.58 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.46 1.504 . . . . 0.0 112.109 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -61.21 -54.39 44.88 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.104 0.561 . . . . 0.0 112.163 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.31 2.7 pp -71.62 -23.68 61.75 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 17.3 m -64.23 -42.87 96.35 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.225 -0.922 . . . . 0.0 110.417 173.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.49 -35.87 70.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.402 0.681 . . . . 0.0 112.614 174.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -15.95 63.59 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.2 mt -121.99 10.67 10.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.008 1.723 . . . . 0.0 112.912 -174.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -61.57 -14.33 29.12 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 40.0 m -118.77 1.43 11.58 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.223 1.409 . . . . 0.0 113.723 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mm -74.02 145.64 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.03 0.932 . . . . 0.0 110.409 174.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.61 143.94 57.42 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.347 1.059 . . . . 0.0 113.716 -174.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.8 -30.41 65.66 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -174.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.595 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.7 pt? -100.94 -8.24 22.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.642 1.177 . . . . 0.0 113.514 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -101.67 -10.1 20.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.058 1.343 . . . . 0.0 112.524 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.6 tp -56.34 -42.66 78.07 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.356 1.463 . . . . 0.0 112.097 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -68.1 -47.56 67.88 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.54 -33.75 76.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.663 0.785 . . . . 0.0 112.18 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -67.87 -56.19 10.06 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.825 1.25 . . . . 0.0 111.185 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -28.78 69.6 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.119 0.968 . . . . 0.0 112.476 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.26 -28.18 69.53 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.472 -0.767 . . . . 0.0 112.404 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -71.65 -32.74 68.25 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.333 -0.854 . . . . 0.0 111.486 174.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 39.6 mt -65.99 -50.63 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.31 -44.24 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.598 0.759 . . . . 0.0 111.106 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -64.04 -22.98 67.16 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.15 -33.46 18.2 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.687 1.131 . . . . 0.0 111.739 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.55 -41.14 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.717 1.207 . . . . 0.0 110.238 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.88 -6.53 6.1 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.748 1.619 . . . . 0.0 115.249 174.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -111.24 -2.78 15.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.781 1.632 . . . . 0.0 113.776 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -89.04 154.03 49.43 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.45 1.1 . . . . 0.0 110.866 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.45 123.24 8.52 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.675 2.25 . . . . 0.0 111.262 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 pp -155.28 169.59 23.84 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.789 1.636 . . . . 0.0 112.255 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 19.8 m -135.62 15.19 3.4 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.096 1.358 . . . . 0.0 112.975 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -151.08 156.37 40.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.212 1.805 . . . . 0.0 110.501 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -83.4 -2.71 56.45 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.425 0.69 . . . . 0.0 112.371 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 15.8 ttm -78.52 128.94 34.27 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.832 0.853 . . . . 0.0 110.793 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 35.7 mm -115.33 108.56 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.512 1.125 . . . . 0.0 110.922 -173.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.64 166.52 21.0 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.024 0.93 . . . . 0.0 113.331 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -54.24 -44.61 71.89 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.655 1.182 . . . . 0.0 111.971 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -59.95 -29.68 68.57 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.387 1.075 . . . . 0.0 113.114 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.06 -44.03 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.396 1.079 . . . . 0.0 110.688 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -63.61 -40.6 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.579 0.752 . . . . 0.0 111.923 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -58.76 -15.65 13.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.5 1.52 . . . . 0.0 113.985 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -104.63 -35.63 7.75 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.833 1.653 . . . . 0.0 111.712 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.78 84.27 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.16 -0.963 . . . . 0.0 113.37 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.84 -31.68 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.133 0.973 . . . . 0.0 112.553 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -69.67 -28.08 65.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.9 1.28 . . . . 0.0 112.847 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -92.9 -8.75 42.44 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.304 1.442 . . . . 0.0 112.777 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 59.2 p -125.76 5.73 7.42 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.339 1.856 . . . . 0.0 112.724 177.313 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.86 0 CA-C-O 122.957 1.36 . . . . 0.0 111.934 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.61 150.23 58.02 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.183 1.393 . . . . 0.0 112.801 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.61 -20.23 47.26 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 123.309 2.673 . . . . 0.0 113.467 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.88 -30.78 62.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.275 1.03 . . . . 0.0 112.538 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -60.84 -26.84 67.65 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.826 1.65 . . . . 0.0 114.038 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -113.74 -21.78 10.54 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.127 1.371 . . . . 0.0 113.59 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.16 -36.05 69.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.498 1.119 . . . . 0.0 111.704 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 45.1 m -60.29 -26.33 66.42 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -59.31 -47.21 86.24 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.752 1.221 . . . . 0.0 111.333 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.41 -44.77 34.54 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.931 1.292 . . . . 0.0 111.994 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -44.77 95.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.934 0.894 . . . . 0.0 112.34 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 24.6 m -65.81 -32.51 74.08 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.443 -0.786 . . . . 0.0 112.695 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.99 95.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.313 0.645 . . . . 0.0 112.074 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.3 -45.0 86.13 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.689 -0.632 . . . . 0.0 110.237 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.82 -48.65 80.84 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.88 -25.46 66.41 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.032 0.833 . . . . 0.0 113.125 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -80.59 -10.79 59.72 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.973 1.309 . . . . 0.0 113.048 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.71 1.3 30.63 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.827 1.68 . . . . 0.0 115.424 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.53 168.98 10.36 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.932 1.293 . . . . 0.0 112.572 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.7 mt -128.8 89.0 2.81 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.23 1.812 . . . . 0.0 109.649 175.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.71 116.52 6.35 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.646 1.178 . . . . 0.0 111.001 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -61.25 159.24 12.55 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.533 1.533 . . . . 0.0 113.463 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.59 -29.79 76.13 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 123.586 0.612 . . . . 0.0 113.7 174.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.6 -21.44 60.33 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.216 1.008 . . . . 0.0 112.557 173.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.13 -39.74 11.42 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.747 1.219 . . . . 0.0 112.566 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 8.9 tp -59.53 -39.2 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.293 -0.879 . . . . 0.0 111.633 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -70.53 -10.61 59.66 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -88.91 -57.47 2.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.776 0.83 . . . . 0.0 110.601 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.266 1.7 pp -73.07 -16.15 61.49 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -175.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 13.7 t -58.97 -33.34 70.55 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.386 1.074 . . . . 0.0 113.09 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -99.84 -17.34 17.69 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.834 1.254 . . . . 0.0 113.373 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.19 -17.28 60.41 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.152 -0.967 . . . . 0.0 112.785 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 79.1 mt -123.94 8.9 8.72 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.548 1.939 . . . . 0.0 112.677 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -61.98 -25.67 67.76 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.045 -1.035 . . . . 0.0 113.444 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -88.16 1.78 53.6 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.813 1.645 . . . . 0.0 113.738 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -103.32 142.09 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.465 1.506 . . . . 0.0 111.052 -176.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 35.7 m -53.06 132.5 38.04 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 127.207 2.203 . . . . 0.0 113.232 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.35 -29.91 61.97 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.96 -9.26 26.46 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.187 1.395 . . . . 0.0 113.703 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.96 -9.15 20.92 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.337 1.455 . . . . 0.0 111.457 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.46 -39.52 80.16 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.578 1.951 . . . . 0.0 112.166 -176.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.44 -43.52 80.93 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.55 -35.22 77.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.717 0.807 . . . . 0.0 112.456 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -67.55 -53.83 25.06 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.024 1.33 . . . . 0.0 111.702 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.99 -20.12 65.67 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.581 1.152 . . . . 0.0 112.944 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.03 -32.94 70.19 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.584 0.753 . . . . 0.0 110.678 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.42 -31.49 67.29 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.11 0.964 . . . . 0.0 111.614 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 57.0 mt -67.69 -50.61 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.143 0.977 . . . . 0.0 108.444 174.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 89.8 mt -58.71 -41.58 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.398 -0.814 . . . . 0.0 111.135 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.42 -22.96 66.83 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.046 -1.034 . . . . 0.0 113.595 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.75 -31.49 20.91 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.277 1.031 . . . . 0.0 112.625 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.79 -39.7 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.735 1.214 . . . . 0.0 110.346 173.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -61.63 -17.97 57.51 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 175.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -87.05 -9.71 54.8 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -95.79 151.28 38.31 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.593 1.157 . . . . 0.0 111.453 -175.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.54 128.96 13.17 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.633 2.222 . . . . 0.0 111.391 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 pp -157.16 168.0 28.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.783 1.633 . . . . 0.0 111.59 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 23.3 m -130.7 4.67 4.61 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.506 1.122 . . . . 0.0 113.589 -174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 86.0 p -151.65 171.22 17.99 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.531 1.533 . . . . 0.0 111.263 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -82.67 0.9 41.12 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 21.5 ttm -83.31 129.41 35.0 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.151 -0.968 . . . . 0.0 111.032 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.52 109.34 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.735 1.214 . . . . 0.0 110.947 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -82.17 168.72 17.4 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.895 1.278 . . . . 0.0 113.763 175.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -52.42 -49.65 64.09 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.364 1.065 . . . . 0.0 111.625 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -57.76 -30.37 65.57 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.346 1.058 . . . . 0.0 112.818 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.2 -45.34 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.739 1.216 . . . . 0.0 111.068 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.36 -39.63 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.895 0.878 . . . . 0.0 112.227 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -60.0 -20.57 58.46 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.168 1.787 . . . . 0.0 113.262 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.65 -34.8 8.93 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.129 1.772 . . . . 0.0 112.799 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.01 79.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.49 1.116 . . . . 0.0 113.206 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.52 -32.68 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.18 -0.95 . . . . 0.0 112.63 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -64.2 -28.07 69.49 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.406 1.482 . . . . 0.0 112.625 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -84.06 -35.71 23.58 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.839 1.656 . . . . 0.0 111.209 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 23.7 p -68.55 -19.59 64.5 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.957 1.703 . . . . 0.0 112.211 -173.151 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 77.1 mtp . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.19 159.1 40.45 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 127.019 2.127 . . . . 0.0 109.81 174.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -60.43 -24.54 78.14 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.533 2.155 . . . . 0.0 112.973 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.46 -23.81 67.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 113.38 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -84.8 -44.55 13.17 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.038 0.935 . . . . 0.0 110.998 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.8 -32.59 71.93 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.449 1.1 . . . . 0.0 112.279 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -53.33 -59.13 4.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.915 1.686 . . . . 0.0 111.671 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 43.3 m -67.7 -34.34 76.68 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -60.26 -42.15 94.72 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.831 1.252 . . . . 0.0 111.632 174.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.79 -48.89 51.83 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.4 1.48 . . . . 0.0 112.697 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -38.44 71.99 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.619 1.168 . . . . 0.0 112.49 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -56.07 -34.58 66.09 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.01 -44.57 65.62 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.059 -1.026 . . . . 0.0 112.451 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -59.95 -43.59 94.93 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.641 -0.662 . . . . 0.0 110.526 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -58.13 -44.66 87.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.194 1.798 . . . . 0.0 112.876 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 44.9 mt -61.76 -37.24 83.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.947 0.899 . . . . 0.0 113.152 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -76.74 -12.88 60.05 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.53 10.17 36.41 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.306 1.431 . . . . 0.0 114.932 174.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -87.08 161.56 18.07 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.673 1.189 . . . . 0.0 112.489 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -126.99 57.23 1.47 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.055 2.142 . . . . 0.0 109.646 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 48.6 tp -48.94 117.62 2.18 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.5 1.92 . . . . 0.0 112.496 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -59.41 156.53 12.78 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.394 1.878 . . . . 0.0 112.88 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.77 -43.37 96.51 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 123.872 0.749 . . . . 0.0 113.844 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.33 -26.34 66.5 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.88 1.272 . . . . 0.0 113.865 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.71 -38.9 11.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.118 1.367 . . . . 0.0 112.103 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -43.82 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.43 0.692 . . . . 0.0 109.9 176.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -65.74 -35.01 79.51 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.893 0.77 . . . . 0.0 112.635 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.97 -53.91 53.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.714 0.806 . . . . 0.0 111.296 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.256 3.1 pp -75.48 -24.24 56.9 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 44.5 m -63.85 -41.98 97.69 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.848 0.749 . . . . 0.0 111.128 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.47 -38.53 65.41 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.361 0.665 . . . . 0.0 112.512 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.03 -18.96 65.69 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -121.67 13.31 10.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.299 1.84 . . . . 0.0 112.045 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -61.78 -20.77 63.94 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.705 1.202 . . . . 0.0 113.684 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.2 p -105.34 -5.62 20.32 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.806 1.642 . . . . 0.0 114.492 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 2.4 mm -72.8 141.71 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.354 1.062 . . . . 0.0 110.669 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -61.32 132.87 54.95 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.21 1.404 . . . . 0.0 112.3 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.5 -34.06 68.69 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -173.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.589 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -86.28 -14.63 43.15 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.306 1.043 . . . . 0.0 113.345 178.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -95.52 -18.3 20.75 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.205 1.402 . . . . 0.0 111.915 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.5 tp -56.4 -39.8 73.59 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 126.571 1.948 . . . . 0.0 111.825 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.39 -43.65 93.79 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.49 -37.6 68.4 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.87 0.868 . . . . 0.0 112.624 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -62.41 -57.17 12.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.652 1.181 . . . . 0.0 111.416 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tt -68.71 -20.96 64.43 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.491 1.116 . . . . 0.0 112.937 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -60.55 -30.63 69.89 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.287 -0.883 . . . . 0.0 110.649 173.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.85 -36.18 79.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.544 0.737 . . . . 0.0 111.335 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.95 -47.88 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.125 0.97 . . . . 0.0 109.287 174.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 90.3 mt -58.31 -44.49 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.926 0.785 . . . . 0.0 110.925 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -66.6 -20.62 66.05 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 120.776 -1.202 . . . . 0.0 113.6 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.4 -18.27 28.71 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.059 1.344 . . . . 0.0 112.895 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.69 -40.58 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.344 1.458 . . . . 0.0 108.615 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.24 -28.77 69.96 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -78.42 -12.71 60.02 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -85.4 151.27 56.0 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 124.418 1.087 . . . . 0.0 110.74 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.27 122.69 8.57 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.389 2.06 . . . . 0.0 111.38 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -152.58 169.6 22.27 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.789 1.636 . . . . 0.0 111.878 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 81.8 p -138.08 7.85 2.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.01 1.324 . . . . 0.0 113.821 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 54.7 m -157.03 160.41 38.94 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.849 1.66 . . . . 0.0 111.47 175.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -84.19 3.28 35.86 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.902 1.281 . . . . 0.0 113.92 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 9.5 ttm -89.3 81.72 6.62 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.718 1.207 . . . . 0.0 111.416 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 31.4 mm -65.71 139.78 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.466 1.106 . . . . 0.0 111.017 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.15 165.43 14.78 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.374 1.47 . . . . 0.0 112.873 -174.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -54.19 -47.72 71.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.499 0.72 . . . . 0.0 111.01 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 8.1 m -59.66 -25.61 64.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.026 0.93 . . . . 0.0 113.322 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 97.7 t -81.46 -43.76 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.671 1.189 . . . . 0.0 111.38 174.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.34 -38.89 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 121.318 -0.864 . . . . 0.0 112.55 176.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -60.88 -18.95 59.26 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.253 1.821 . . . . 0.0 113.201 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.17 -31.03 10.78 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.148 1.779 . . . . 0.0 112.009 173.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.8 -38.25 88.48 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.959 -1.088 . . . . 0.0 113.094 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.81 -29.97 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.823 0.849 . . . . 0.0 112.672 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -71.84 -20.56 61.8 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.191 1.397 . . . . 0.0 112.899 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -99.91 -8.94 23.39 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.295 1.838 . . . . 0.0 112.866 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 61.6 p -128.45 7.68 5.86 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -173.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.158 1.783 . . . . 0.0 112.459 176.06 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 121.629 0.728 . . . . 0.0 111.566 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.02 160.86 28.92 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.496 1.918 . . . . 0.0 110.238 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -48.14 -43.0 32.18 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 124.029 3.153 . . . . 0.0 115.115 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.11 -39.57 93.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.317 -0.865 . . . . 0.0 112.746 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -70.11 -37.8 75.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.838 0.855 . . . . 0.0 111.984 175.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.71 -23.37 65.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.907 1.283 . . . . 0.0 112.99 175.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -93.68 -22.09 18.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.984 1.713 . . . . 0.0 113.763 176.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -75.3 33.93 0.11 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.297 1.839 . . . . 0.0 114.554 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -57.32 -46.28 83.39 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.35 1.46 . . . . 0.0 113.125 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.88 74.87 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.88 -39.67 94.74 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.406 -0.809 . . . . 0.0 111.184 174.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -61.53 -35.8 78.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.813 0.845 . . . . 0.0 112.558 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -46.06 81.97 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.017 -1.052 . . . . 0.0 112.513 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -60.77 -43.91 97.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.037 0.935 . . . . 0.0 110.915 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -58.24 -44.8 88.43 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.382 1.873 . . . . 0.0 113.02 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.4 -32.87 72.82 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.132 0.973 . . . . 0.0 113.032 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.41 -9.39 59.47 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 174.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.87 5.26 41.62 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.68 1.609 . . . . 0.0 115.452 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.52 164.73 15.29 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.516 1.158 . . . . 0.0 113.158 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.78 77.82 1.78 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.541 2.336 . . . . 0.0 109.264 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.04 125.62 24.62 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.344 1.058 . . . . 0.0 112.004 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -65.89 159.64 25.08 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.654 1.182 . . . . 0.0 112.955 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.5 -24.94 73.89 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.234 0.921 . . . . 0.0 114.996 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -81.13 -31.59 34.14 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.765 1.282 . . . . 0.0 110.774 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.31 -40.64 58.29 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.585 1.154 . . . . 0.0 112.159 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.63 -44.43 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 121.922 -0.486 . . . . 0.0 110.538 173.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -60.54 -40.62 92.19 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.506 1.522 . . . . 0.0 112.17 176.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -60.2 -54.17 49.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.592 0.757 . . . . 0.0 111.979 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.56 -21.88 57.49 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 16.3 m -58.72 -36.77 74.82 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.342 1.057 . . . . 0.0 111.352 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.25 -28.44 59.84 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.03 -38.51 61.46 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.991 0.916 . . . . 0.0 112.528 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.76 -7.09 59.28 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.996 1.318 . . . . 0.0 113.308 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -57.07 -28.59 62.72 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.3 p -109.34 -1.49 18.46 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.569 1.547 . . . . 0.0 113.807 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mm -77.67 143.5 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.559 1.144 . . . . 0.0 111.415 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m -54.68 128.28 31.89 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.256 1.822 . . . . 0.0 112.378 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.55 -34.3 73.94 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -175.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.573 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.4 pt? -78.74 -3.92 46.68 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -116.02 -1.66 12.45 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.211 1.804 . . . . 0.0 112.424 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 tp -53.95 -46.64 71.63 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.651 1.58 . . . . 0.0 111.715 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.04 -43.66 91.61 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.248 0.619 . . . . 0.0 112.568 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.42 -35.23 70.91 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -69.16 -51.71 35.46 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.317 1.047 . . . . 0.0 112.457 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 69' ' ' LEU . . . . . 0.416 HD12 HD12 ' M' ' 72' ' ' ILE . 40.8 tp -62.8 -24.71 67.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.239 1.016 . . . . 0.0 112.453 -179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.9 -35.66 77.22 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.736 0.815 . . . . 0.0 111.325 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -68.62 -31.86 71.32 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.045 0.938 . . . . 0.0 111.46 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 72' ' ' ILE . . . . . 0.416 HD12 HD12 ' M' ' 69' ' ' LEU . 62.7 mt -70.81 -52.78 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 173.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 78.6 mt -57.93 -41.9 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.383 0.673 . . . . 0.0 111.457 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.68 -25.91 67.69 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 174.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.18 -21.32 22.24 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.66 1.184 . . . . 0.0 113.011 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -75.13 -41.32 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.41 1.084 . . . . 0.0 108.904 171.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.21 -13.12 57.52 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.867 1.667 . . . . 0.0 115.099 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -108.05 0.18 21.59 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -85.42 145.39 42.25 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.233 1.013 . . . . 0.0 111.102 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.12 104.36 1.83 Allowed 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.278 2.652 . . . . 0.0 111.931 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 pp -139.31 -2.94 1.58 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 6.7 t 49.42 15.64 0.14 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.054 2.142 . . . . 0.0 116.559 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -144.23 -170.24 3.31 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.74 1.616 . . . . 0.0 111.715 -174.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -122.96 -2.64 8.69 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.604 1.562 . . . . 0.0 112.424 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 19.4 ttm -83.2 127.36 33.56 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.194 -0.942 . . . . 0.0 109.391 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 34.8 mm -113.35 108.49 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.13 0.972 . . . . 0.0 111.686 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.73 165.23 23.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.825 1.25 . . . . 0.0 113.369 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -56.78 -43.42 80.84 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.326 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t -56.54 -35.45 68.11 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.838 0.744 . . . . 0.0 112.798 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.59 -43.42 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.216 1.006 . . . . 0.0 111.576 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 48.3 t -69.76 -38.68 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.19 0.996 . . . . 0.0 112.308 176.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -59.24 -22.43 61.09 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.9 1.68 . . . . 0.0 112.991 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.03 -32.69 10.49 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.862 1.665 . . . . 0.0 112.452 173.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.8 86.14 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.019 -1.051 . . . . 0.0 113.505 175.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.23 -30.3 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.538 0.735 . . . . 0.0 112.647 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -64.13 -22.97 67.15 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.777 1.631 . . . . 0.0 113.037 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -90.05 -31.25 17.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.88 1.272 . . . . 0.0 111.46 175.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 25.0 p -74.16 -18.62 60.76 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.66 1.584 . . . . 0.0 112.815 -172.883 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 46.7 ttp . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 120.359 0.123 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.74 130.26 36.98 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.703 1.201 . . . . 0.0 112.457 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -48.71 -37.36 34.96 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 124.577 3.518 . . . . 0.0 115.373 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.89 -21.25 60.79 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -88.18 -9.65 52.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.367 1.467 . . . . 0.0 113.515 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 pp -133.7 -12.01 2.67 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -174.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -67.87 -51.78 44.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.042 1.337 . . . . 0.0 112.046 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 27.7 m 42.39 25.62 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 128.871 2.868 . . . . 0.0 118.134 174.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -61.98 -47.38 85.07 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 120.827 -1.17 . . . . 0.0 112.461 -175.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.79 -37.85 64.83 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -40.64 89.76 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.602 -0.686 . . . . 0.0 111.55 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.2 m -62.41 -32.64 73.5 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.876 0.871 . . . . 0.0 113.229 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.18 77.96 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.536 -0.727 . . . . 0.0 112.316 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.55 -42.69 86.75 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.261 0.624 . . . . 0.0 110.992 173.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -55.02 -50.68 68.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.357 1.863 . . . . 0.0 113.188 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.74 -24.86 64.51 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -69.45 -27.03 64.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.836 1.255 . . . . 0.0 112.905 173.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.91 -3.82 19.12 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 126.289 1.9 . . . . 0.0 114.079 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.06 164.42 14.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.377 1.471 . . . . 0.0 112.377 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.8 mt -129.96 81.65 2.02 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.478 1.911 . . . . 0.0 109.666 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 tp -62.11 120.04 10.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.929 1.692 . . . . 0.0 111.295 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -72.49 165.24 25.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.372 1.069 . . . . 0.0 112.816 -176.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.95 -24.62 73.1 Favored Glycine 0 CA--C 1.539 1.58 0 N-CA-C 115.647 1.019 . . . . 0.0 115.647 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -85.85 -30.35 23.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.987 1.394 . . . . 0.0 110.182 172.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.15 72.5 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.346 1.058 . . . . 0.0 112.116 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 tp -57.81 -45.99 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.753 0.821 . . . . 0.0 110.875 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -60.94 -43.56 98.5 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.104 1.362 . . . . 0.0 112.224 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -58.11 -53.09 62.2 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.849 0.86 . . . . 0.0 111.661 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.281 4.3 pp -73.7 -26.5 60.74 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.7 m -62.67 -40.48 97.21 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.269 0.94 . . . . 0.0 110.683 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -72.17 -33.98 68.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.527 0.731 . . . . 0.0 112.512 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.3 -29.23 67.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.92 11.44 33.58 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.48 1.912 . . . . 0.0 112.469 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -57.86 -18.96 25.69 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -174.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -123.04 7.12 9.23 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.3 1.44 . . . . 0.0 113.353 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -70.42 142.66 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.913 0.885 . . . . 0.0 110.664 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 37.3 m -52.88 132.71 37.48 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.363 1.865 . . . . 0.0 113.076 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.57 -29.16 64.2 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.25 3.23 51.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.395 1.478 . . . . 0.0 113.462 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -120.12 1.0 10.82 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.149 1.779 . . . . 0.0 112.303 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 67.7 tp -56.62 -44.59 81.35 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.136 1.374 . . . . 0.0 111.523 -177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.03 -44.37 76.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.94 0.496 . . . . 0.0 112.093 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.88 -34.2 77.59 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.869 0.868 . . . . 0.0 112.744 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -69.65 -54.14 15.33 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.762 1.225 . . . . 0.0 111.857 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.87 -26.08 67.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.948 1.299 . . . . 0.0 112.847 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -58.94 -34.72 72.07 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.279 1.032 . . . . 0.0 111.15 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.91 -32.35 69.26 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.696 0.798 . . . . 0.0 111.558 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.65 -52.45 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.185 0.994 . . . . 0.0 108.583 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 81.1 mt -56.85 -45.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.851 0.75 . . . . 0.0 111.359 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -63.3 -28.03 69.74 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.83 -33.27 46.21 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.276 0.944 . . . . 0.0 111.37 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 74.2 t -66.4 -41.3 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.404 1.081 . . . . 0.0 110.505 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.21 -21.87 62.3 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -91.96 -12.42 33.41 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.831 1.252 . . . . 0.0 114.269 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.37 150.38 82.51 Favored Pre-proline 0 N--CA 1.473 0.719 0 CA-C-N 119.236 0.925 . . . . 0.0 110.8 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -87.94 27.45 0.54 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.627 2.885 . . . . 0.0 115.359 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 pp -48.16 -20.1 0.33 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 128.538 2.735 . . . . 0.0 116.703 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 20.6 m 52.18 16.63 0.59 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.683 1.993 . . . . 0.0 116.27 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 13.9 t -142.32 -163.49 1.61 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.736 2.014 . . . . 0.0 110.455 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -128.69 4.29 5.51 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.469 1.108 . . . . 0.0 112.834 173.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 64.1 mmm -84.65 125.7 32.71 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.102 0.961 . . . . 0.0 109.665 174.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 29.5 mm -113.76 91.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.977 0.911 . . . . 0.0 109.472 -174.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -73.67 168.01 20.21 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.09 0.956 . . . . 0.0 113.061 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -49.75 -49.06 49.66 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.911 0.885 . . . . 0.0 111.626 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -57.6 -30.1 65.04 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.361 1.065 . . . . 0.0 113.113 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.5 t -74.52 -43.85 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.72 1.208 . . . . 0.0 111.218 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.06 -37.78 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.097 0.959 . . . . 0.0 111.974 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -60.38 -19.85 57.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.181 1.792 . . . . 0.0 112.998 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.63 -27.6 12.98 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.358 1.863 . . . . 0.0 112.448 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.79 -36.37 67.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.267 1.027 . . . . 0.0 113.359 174.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.55 -25.77 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.243 1.017 . . . . 0.0 113.303 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -64.8 -13.39 55.37 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.498 1.519 . . . . 0.0 113.145 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -112.6 -23.79 10.04 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.307 1.443 . . . . 0.0 113.054 174.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 28.8 p -80.51 -15.52 56.51 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.546 1.538 . . . . 0.0 113.048 -172.617 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 42.0 mtp . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 121.795 0.807 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.41 160.06 58.48 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 126.558 1.943 . . . . 0.0 110.832 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -49.22 -40.79 42.8 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 124.741 3.627 . . . . 0.0 115.882 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.21 -37.83 72.05 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.312 -0.868 . . . . 0.0 112.376 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -72.03 -44.4 63.46 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.122 0.969 . . . . 0.0 112.224 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.83 -28.37 67.5 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -74.01 -39.76 63.37 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.274 1.029 . . . . 0.0 111.25 173.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 38.7 m -74.71 -9.73 58.84 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.211 1.405 . . . . 0.0 114.333 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -56.07 -32.64 64.29 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.506 1.522 . . . . 0.0 114.75 -174.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.63 -42.96 33.06 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.091 0.956 . . . . 0.0 112.767 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.64 -43.62 96.27 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.737 0.815 . . . . 0.0 111.808 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 90.5 p -60.81 -35.68 77.1 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.7 96.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.936 0.789 . . . . 0.0 112.958 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -65.63 -44.58 86.03 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.2 0.6 . . . . 0.0 110.803 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.26 -37.11 84.18 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.71 -34.48 75.87 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.262 1.025 . . . . 0.0 112.278 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -82.97 -8.46 59.56 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.597 1.159 . . . . 0.0 113.399 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.91 1.55 48.91 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.999 1.762 . . . . 0.0 114.935 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.54 164.79 17.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.675 1.238 . . . . 0.0 112.875 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -129.02 85.25 2.3 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.787 2.035 . . . . 0.0 109.735 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 25.9 tp -64.47 123.55 19.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.828 1.251 . . . . 0.0 111.502 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -64.55 160.66 19.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.842 1.257 . . . . 0.0 113.17 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.75 -24.06 72.63 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.205 0.907 . . . . 0.0 114.809 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -82.35 -30.65 30.24 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.499 1.15 . . . . 0.0 110.796 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.53 -42.21 53.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.84 1.256 . . . . 0.0 112.526 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.5 tp -58.47 -44.01 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.603 0.761 . . . . 0.0 110.69 174.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.21 -42.89 99.38 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.16 1.384 . . . . 0.0 112.089 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.48 -53.87 53.14 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.321 0.648 . . . . 0.0 111.856 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.286 3.6 pp -72.87 -23.01 60.68 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 18.4 m -62.89 -40.5 97.74 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.209 -0.932 . . . . 0.0 110.422 173.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -74.13 -34.7 63.96 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.529 0.732 . . . . 0.0 112.222 174.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.55 -16.48 63.43 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 79.5 mt -121.86 12.62 10.56 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.616 1.967 . . . . 0.0 112.195 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -58.54 -17.66 23.3 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.8 p -126.84 4.23 6.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.914 1.686 . . . . 0.0 113.963 -177.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 mm -68.38 142.32 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.927 0.891 . . . . 0.0 111.158 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 28.7 m -54.85 127.33 28.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.876 1.671 . . . . 0.0 112.346 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -57.89 -36.72 72.79 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -174.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.614 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -80.67 -5.72 57.38 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.737 1.215 . . . . 0.0 114.046 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -111.65 -4.91 14.57 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.258 1.823 . . . . 0.0 112.672 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.29 -42.7 82.23 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.42 1.488 . . . . 0.0 111.978 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.71 -50.44 62.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.467 0.307 . . . . 0.0 111.652 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.95 -33.37 74.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.668 0.787 . . . . 0.0 112.536 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -69.67 -57.93 4.54 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.684 1.194 . . . . 0.0 111.491 174.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.81 -23.8 67.5 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.101 0.96 . . . . 0.0 112.542 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.2 -29.33 70.3 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.245 -0.909 . . . . 0.0 112.089 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -70.07 -34.8 73.63 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.378 -0.826 . . . . 0.0 111.209 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mt -63.78 -52.02 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 98.1 mt -54.94 -47.59 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.671 0.788 . . . . 0.0 110.963 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -61.56 -26.09 67.73 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.18 -24.96 25.93 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.059 0.845 . . . . 0.0 112.368 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.98 -38.93 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.886 1.274 . . . . 0.0 110.083 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.2 -15.39 33.74 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -114.94 3.27 14.49 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -176.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -82.69 157.09 67.56 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 124.26 1.024 . . . . 0.0 111.015 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.36 115.83 4.48 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.399 2.066 . . . . 0.0 111.579 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.6 169.07 24.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.056 1.742 . . . . 0.0 111.439 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 3.2 t -133.42 10.19 4.06 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.826 1.25 . . . . 0.0 113.186 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -150.73 170.78 18.41 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.569 1.548 . . . . 0.0 111.144 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -85.87 0.95 51.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.23 1.012 . . . . 0.0 113.352 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.1 ttm -84.31 127.58 34.06 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.151 -0.968 . . . . 0.0 111.174 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.8 mm -112.83 104.83 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.495 1.118 . . . . 0.0 110.772 -173.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.63 167.97 20.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.013 0.925 . . . . 0.0 113.362 174.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -53.77 -47.5 70.67 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.753 0.821 . . . . 0.0 111.626 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -57.92 -31.71 67.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.222 1.009 . . . . 0.0 113.037 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.8 t -71.35 -43.55 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.866 1.266 . . . . 0.0 111.317 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 51.9 t -67.42 -38.97 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 O-C-N 121.125 -0.985 . . . . 0.0 111.598 174.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -60.42 -19.97 58.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.278 1.831 . . . . 0.0 112.866 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.61 -32.99 10.81 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.225 1.81 . . . . 0.0 112.326 173.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.31 84.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.474 1.11 . . . . 0.0 113.64 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.65 -27.81 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.045 0.938 . . . . 0.0 112.826 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -68.32 -19.74 64.69 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.385 1.474 . . . . 0.0 113.291 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -112.43 -7.8 13.92 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.214 1.406 . . . . 0.0 113.234 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 59.1 p -119.87 2.64 11.06 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.663 1.985 . . . . 0.0 112.177 174.735 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tpt . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.13 164.37 20.97 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 126.005 1.722 . . . . 0.0 111.003 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.44 -33.19 45.82 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 124.011 3.141 . . . . 0.0 115.296 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.12 -33.2 74.01 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.116 -0.99 . . . . 0.0 112.572 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -73.51 -35.3 65.58 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.831 0.852 . . . . 0.0 111.653 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -42.21 95.73 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.195 0.907 . . . . 0.0 111.374 173.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.49 -40.24 95.31 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.291 1.037 . . . . 0.0 111.834 174.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 49.7 m -66.71 -40.64 88.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.065 0.946 . . . . 0.0 112.984 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -56.47 -35.63 68.16 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.35 1.46 . . . . 0.0 112.971 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.76 98.1 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 175.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.15 -39.16 82.71 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.796 -0.565 . . . . 0.0 111.336 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 44.9 m -58.36 -41.27 84.33 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.72 0.808 . . . . 0.0 113.084 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.05 99.64 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.442 -0.786 . . . . 0.0 112.496 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.17 -37.54 78.23 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.815 0.846 . . . . 0.0 112.208 174.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -62.29 -39.46 93.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.624 1.57 . . . . 0.0 112.916 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 68.6 mt -60.37 -28.65 68.37 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.269 1.028 . . . . 0.0 112.935 174.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.93 -8.46 49.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.232 1.413 . . . . 0.0 113.431 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.06 7.3 58.6 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.604 1.573 . . . . 0.0 115.468 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.17 165.83 21.19 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.951 1.375 . . . . 0.0 112.878 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 90.2 mt -126.4 76.94 1.66 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.316 2.246 . . . . 0.0 109.571 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.63 117.12 4.94 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.691 1.196 . . . . 0.0 110.267 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -62.59 161.3 12.35 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.994 0.918 . . . . 0.0 113.136 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -36.34 92.73 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 123.99 0.805 . . . . 0.0 113.437 174.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.96 -31.08 68.62 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.215 -1.168 . . . . 0.0 111.755 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.64 -44.06 29.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.741 1.216 . . . . 0.0 112.812 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -41.93 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.911 0.778 . . . . 0.0 109.678 174.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -59.36 -34.52 72.49 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.671 1.188 . . . . 0.0 112.621 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.92 -53.14 22.62 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.903 -0.498 . . . . 0.0 112.027 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.257 3.8 pp -76.2 -21.95 55.85 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -31.23 72.34 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.999 1.272 . . . . 0.0 111.382 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -80.16 -32.74 38.8 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.245 1.018 . . . . 0.0 112.17 174.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.72 -15.09 63.09 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.906 0.883 . . . . 0.0 112.906 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 80.4 mt -120.84 12.76 11.36 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.133 2.173 . . . . 0.0 112.378 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -57.33 -30.19 64.59 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.282 1.433 . . . . 0.0 113.992 -174.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.6 p -116.07 1.9 13.32 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.648 1.579 . . . . 0.0 113.835 -175.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.5 139.51 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.084 0.954 . . . . 0.0 111.252 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 21.4 m -54.35 127.29 26.66 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.014 1.725 . . . . 0.0 112.568 175.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.46 -35.8 72.71 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.59 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -79.52 -6.34 56.79 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.856 1.262 . . . . 0.0 114.144 175.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -112.93 0.02 14.97 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.615 1.966 . . . . 0.0 112.464 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.25 -47.39 78.61 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.07 1.348 . . . . 0.0 111.432 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.16 -40.87 74.48 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.662 0.385 . . . . 0.0 111.863 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.21 -34.45 77.69 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.789 0.836 . . . . 0.0 112.93 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -73.65 -52.08 14.56 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.903 1.281 . . . . 0.0 111.362 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.42 -25.09 64.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.114 1.366 . . . . 0.0 113.236 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -55.28 -36.83 66.56 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.795 1.238 . . . . 0.0 111.792 174.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -67.1 -40.68 86.94 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.173 0.989 . . . . 0.0 111.45 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.57 -49.97 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.115 0.966 . . . . 0.0 109.481 176.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 80.4 mt -56.35 -46.37 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.288 0.635 . . . . 0.0 110.816 177.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -67.97 -8.59 38.43 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.33 -32.14 9.7 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.083 1.353 . . . . 0.0 111.764 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.79 -42.71 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.861 1.265 . . . . 0.0 109.978 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.33 -16.41 60.29 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -93.64 -10.88 33.04 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -80.57 148.59 66.3 Favored Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 124.3 1.04 . . . . 0.0 110.612 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.81 124.82 9.0 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.174 1.916 . . . . 0.0 111.227 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.25 167.47 30.28 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.316 1.446 . . . . 0.0 112.189 177.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 45.2 m -131.6 16.86 4.84 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.591 1.557 . . . . 0.0 112.623 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -150.17 158.2 43.91 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.549 1.94 . . . . 0.0 110.453 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -84.5 -2.2 56.92 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.835 0.854 . . . . 0.0 112.366 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 32.8 ttm -78.89 130.18 35.35 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 120.967 -1.083 . . . . 0.0 112.05 176.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.42 100.16 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.001 1.32 . . . . 0.0 108.709 -174.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.52 167.52 21.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.716 0.806 . . . . 0.0 112.976 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -52.92 -45.75 67.76 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.222 1.009 . . . . 0.0 111.841 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -60.16 -29.39 68.64 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.03 0.932 . . . . 0.0 113.373 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.34 -44.18 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.287 1.035 . . . . 0.0 110.659 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.85 -38.69 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.388 -0.82 . . . . 0.0 111.874 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.29 -16.28 32.98 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.959 1.303 . . . . 0.0 113.611 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.4 -28.71 12.44 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.398 1.479 . . . . 0.0 111.987 174.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.01 -37.24 69.82 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.514 1.126 . . . . 0.0 112.951 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.6 -26.8 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.549 1.14 . . . . 0.0 112.943 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -67.21 -18.59 65.31 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.728 1.611 . . . . 0.0 113.623 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -117.15 -5.75 11.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.376 1.47 . . . . 0.0 113.382 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 67.2 p -124.91 0.25 7.97 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -174.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.154 1.382 . . . . 0.0 113.764 176.84 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 10.5 tpt . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 120.771 0.32 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.15 158.44 66.91 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.94 1.296 . . . . 0.0 114.158 -173.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -52.5 -14.07 2.8 Favored 'Trans proline' 0 C--N 1.356 0.951 1 C-N-CA 126.4 4.733 . . . . 0.0 118.462 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -103.81 -16.55 15.37 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.366 0.984 . . . . 0.0 113.266 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -78.79 -28.67 44.64 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.734 0.814 . . . . 0.0 112.516 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.86 -24.1 62.44 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.523 0.729 . . . . 0.0 112.741 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -70.92 -32.14 68.98 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.043 1.337 . . . . 0.0 112.208 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 26.1 m -59.86 -12.23 7.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -52.95 -39.86 63.21 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.697 1.135 . . . . 0.0 112.303 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.14 55.72 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.38 -37.51 78.11 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.07 -1.019 . . . . 0.0 111.614 174.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -60.04 -39.78 87.09 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.106 0.963 . . . . 0.0 112.991 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.46 98.1 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.768 -1.208 . . . . 0.0 112.004 175.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -61.28 -44.51 97.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.683 0.793 . . . . 0.0 110.958 173.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -59.65 -43.18 94.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.212 1.405 . . . . 0.0 112.689 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.6 -32.15 73.1 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.557 1.143 . . . . 0.0 113.051 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -82.14 -8.64 59.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.997 0.919 . . . . 0.0 113.415 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.21 4.71 38.12 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.777 1.656 . . . . 0.0 115.156 174.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.04 165.43 14.03 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.837 1.318 . . . . 0.0 113.036 -174.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.45 73.02 1.29 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.189 2.196 . . . . 0.0 109.411 175.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 38.9 tp -58.79 121.33 10.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.87 1.268 . . . . 0.0 111.333 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -62.11 158.35 16.95 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.729 1.212 . . . . 0.0 113.045 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.66 -25.59 71.7 Favored Glycine 0 CA--C 1.541 1.716 0 C-N-CA 124.119 0.866 . . . . 0.0 114.619 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -78.42 -30.87 47.89 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.336 -1.096 . . . . 0.0 110.907 173.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.49 -39.3 24.97 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.559 1.544 . . . . 0.0 113.276 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 tp -56.78 -43.72 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.419 0.687 . . . . 0.0 110.853 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.17 -44.81 94.75 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.765 1.626 . . . . 0.0 112.308 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.39 -51.52 69.57 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.453 0.701 . . . . 0.0 111.813 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.288 4.0 pp -73.56 -24.95 60.17 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 176.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 21.5 m -63.1 -41.23 99.34 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.996 0.817 . . . . 0.0 110.251 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.06 -38.93 69.37 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.402 0.681 . . . . 0.0 112.369 174.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.6 -18.96 65.65 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.0 mt -116.18 9.86 14.77 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.218 1.807 . . . . 0.0 112.267 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -59.07 -27.26 65.36 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.659 1.183 . . . . 0.0 113.539 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 70.0 p -98.28 -7.61 28.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.679 1.592 . . . . 0.0 114.556 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -74.94 143.24 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.13 0.972 . . . . 0.0 111.195 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 57.8 m -54.25 129.45 35.21 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.061 1.745 . . . . 0.0 112.424 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.64 -33.72 73.22 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.331 1.052 . . . . 0.0 113.748 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.592 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.4 pt? -82.02 -4.14 56.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.371 1.469 . . . . 0.0 114.517 175.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -112.79 -6.34 13.85 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.005 1.322 . . . . 0.0 112.515 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 tp -52.43 -45.34 65.92 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.204 1.402 . . . . 0.0 111.27 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.73 -15.67 63.58 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -102.0 -36.53 8.56 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.67 1.188 . . . . 0.0 112.343 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -66.67 -51.16 59.26 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.705 1.202 . . . . 0.0 111.87 174.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.08 -25.76 68.25 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.692 1.197 . . . . 0.0 112.879 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.32 -34.21 70.35 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.08 0.952 . . . . 0.0 111.369 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -70.07 -37.72 75.55 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.275 1.03 . . . . 0.0 111.422 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.7 mt -64.19 -49.84 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.02 0.928 . . . . 0.0 109.269 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.65 -42.04 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.316 0.647 . . . . 0.0 111.128 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.48 -27.29 68.39 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.03 -1.044 . . . . 0.0 113.772 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.87 -31.18 31.65 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.23 0.923 . . . . 0.0 112.404 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.69 -40.98 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.503 1.121 . . . . 0.0 110.114 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.67 -17.72 63.23 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -81.1 -13.06 59.09 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -91.56 152.25 43.3 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.595 1.158 . . . . 0.0 111.356 -175.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 128.33 11.94 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.499 2.132 . . . . 0.0 111.344 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 pp -157.73 169.04 25.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.983 1.713 . . . . 0.0 111.788 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -135.48 7.98 3.34 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.847 1.259 . . . . 0.0 113.473 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -151.16 169.61 21.46 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.857 1.663 . . . . 0.0 111.133 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -85.19 2.67 42.71 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 16.9 ttm -84.09 127.13 33.7 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.146 -0.971 . . . . 0.0 110.957 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 34.6 mm -115.07 110.78 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.354 1.062 . . . . 0.0 110.489 -173.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -86.51 166.41 15.49 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.588 1.155 . . . . 0.0 113.324 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -57.2 -41.49 79.49 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.977 0.911 . . . . 0.0 112.378 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -58.89 -35.14 72.51 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.971 0.908 . . . . 0.0 113.03 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.45 -43.91 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.934 0.894 . . . . 0.0 111.054 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.29 -37.79 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.551 -0.718 . . . . 0.0 112.085 175.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -58.57 -23.51 58.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.991 1.316 . . . . 0.0 112.843 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.71 -34.83 10.76 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.617 1.567 . . . . 0.0 112.723 173.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.37 -36.71 85.04 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.138 -0.976 . . . . 0.0 113.296 176.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.7 p -61.47 -31.0 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.669 0.788 . . . . 0.0 112.513 176.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -69.17 -26.32 64.8 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.149 1.38 . . . . 0.0 112.77 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -96.47 -9.13 30.41 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.889 1.676 . . . . 0.0 112.975 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 63.6 p -126.14 4.44 7.14 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -173.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.102 1.761 . . . . 0.0 112.237 177.39 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 40.7 ttp . . . . . 0 C--O 1.239 0.508 0 CA-C-O 121.593 0.711 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.5 144.67 42.08 Favored Pre-proline 0 CA--C 1.55 0.981 0 C-N-CA 125.699 1.6 . . . . 0.0 113.669 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -67.99 -30.98 31.65 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.059 2.506 . . . . 0.0 112.86 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.82 -39.47 93.63 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.172 0.989 . . . . 0.0 111.699 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -71.14 -34.79 71.34 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.836 1.254 . . . . 0.0 112.846 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 26.0 tp -71.12 -44.06 66.38 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.44 1.496 . . . . 0.0 111.173 175.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -65.42 -44.26 87.97 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.585 1.554 . . . . 0.0 112.736 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 82.7 p 50.27 2.29 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 119.33 3.085 . . . . 0.0 119.33 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -58.75 -35.61 73.02 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.062 1.301 . . . . 0.0 113.442 -175.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.76 -55.54 6.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.352 0.661 . . . . 0.0 112.311 175.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.01 -46.27 88.43 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -174.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 78.3 p -60.59 -35.29 75.73 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.0 85.77 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.899 0.772 . . . . 0.0 112.526 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -65.81 -42.33 90.79 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.424 0.69 . . . . 0.0 110.976 174.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.22 -35.93 78.55 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 176.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.18 -31.52 72.04 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.088 0.858 . . . . 0.0 112.487 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -84.84 -12.4 53.62 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.673 1.189 . . . . 0.0 113.371 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.89 1.75 52.17 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.83 1.681 . . . . 0.0 114.253 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.07 163.48 17.89 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.929 1.291 . . . . 0.0 112.51 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -131.27 82.78 2.06 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.628 1.971 . . . . 0.0 109.937 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.16 121.95 11.95 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.632 1.573 . . . . 0.0 110.906 174.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -71.68 164.38 26.04 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.34 1.056 . . . . 0.0 112.851 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.53 -36.83 93.64 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.017 0.818 . . . . 0.0 114.115 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.46 -31.0 66.66 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.339 -1.095 . . . . 0.0 111.219 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.3 -44.7 35.75 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.768 1.227 . . . . 0.0 112.97 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -45.59 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.593 0.633 . . . . 0.0 109.315 174.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -58.11 -37.58 74.83 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.231 1.013 . . . . 0.0 113.096 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.25 -56.01 20.16 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.498 0.59 . . . . 0.0 112.342 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.273 3.8 pp -68.25 -22.9 64.74 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.4 m -59.61 -35.4 74.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.631 1.172 . . . . 0.0 111.542 173.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -77.39 -34.13 54.98 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.959 0.799 . . . . 0.0 112.545 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.52 -31.01 67.93 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -105.87 12.21 30.97 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.679 1.992 . . . . 0.0 111.663 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.34 -28.36 42.24 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.048 1.739 . . . . 0.0 114.94 -174.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 42.7 m -120.09 8.06 10.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.84 1.256 . . . . 0.0 113.339 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mm -70.39 142.51 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.198 0.999 . . . . 0.0 111.141 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 17.1 m -55.19 127.13 27.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.599 1.56 . . . . 0.0 111.787 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.02 -29.22 67.1 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -174.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.88 -32.01 51.64 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.368 1.067 . . . . 0.0 111.646 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -90.04 -6.44 55.54 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.139 2.176 . . . . 0.0 111.807 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.97 -39.67 92.95 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.597 1.159 . . . . 0.0 112.513 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.35 -39.95 77.83 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 175.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -68.21 -37.06 80.47 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.069 0.947 . . . . 0.0 112.415 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -63.89 -53.02 56.96 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.147 1.379 . . . . 0.0 111.047 174.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.79 -20.98 66.67 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.74 0.816 . . . . 0.0 112.913 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.43 -26.76 68.88 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.941 -1.099 . . . . 0.0 111.68 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.05 -40.3 87.1 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.662 -0.649 . . . . 0.0 110.631 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 48.9 mt -61.56 -50.29 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.532 1.133 . . . . 0.0 109.257 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 79.9 mt -54.01 -47.69 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.451 0.7 . . . . 0.0 111.208 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -64.37 -21.79 66.74 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.26 -15.0 21.01 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.135 1.374 . . . . 0.0 112.987 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 39.3 t -84.01 -40.23 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.67 1.588 . . . . 0.0 108.641 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.01 -23.36 66.55 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -87.68 -7.73 57.04 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -82.4 151.03 64.99 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.04 0.936 . . . . 0.0 110.641 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.42 118.92 5.54 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.308 2.006 . . . . 0.0 111.44 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.24 165.31 36.67 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.559 1.543 . . . . 0.0 112.129 176.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 51.8 m -132.83 17.71 4.22 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.774 1.63 . . . . 0.0 112.868 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 21.5 t -148.15 168.8 21.51 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.386 1.874 . . . . 0.0 110.512 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -102.5 2.77 36.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.256 1.022 . . . . 0.0 113.067 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 53.5 mmm -79.44 125.21 29.25 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.668 0.787 . . . . 0.0 110.157 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -108.88 92.99 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.866 0.867 . . . . 0.0 109.39 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.7 162.49 27.64 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.293 1.437 . . . . 0.0 113.246 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -53.89 -46.31 71.33 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.979 0.912 . . . . 0.0 112.287 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 12.4 m -62.76 -24.35 67.67 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.759 0.823 . . . . 0.0 113.064 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.94 -40.51 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.471 1.109 . . . . 0.0 110.538 173.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.45 -37.96 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.229 1.012 . . . . 0.0 111.675 174.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -59.59 -17.57 34.05 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.914 1.286 . . . . 0.0 113.914 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.23 -26.62 13.58 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.285 1.434 . . . . 0.0 112.373 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.56 -37.52 65.51 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.684 1.194 . . . . 0.0 113.365 174.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.65 -27.76 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.449 1.1 . . . . 0.0 112.862 175.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -65.82 -20.25 66.18 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.624 1.57 . . . . 0.0 113.29 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -111.35 -8.58 14.32 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.331 1.452 . . . . 0.0 112.367 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 15.1 m -101.08 -12.52 18.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.895 1.278 . . . . 0.0 114.431 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.359 1.864 . . . . 0.0 112.271 -175.879 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 1.1 tpt . . . . . 0 CA--C 1.542 0.654 0 CA-C-O 122.563 1.173 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.04 160.4 11.48 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 125.507 1.523 . . . . 0.0 112.899 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.4 -35.98 37.33 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 124.447 3.431 . . . . 0.0 115.797 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.7 -27.98 62.4 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -80.86 -46.31 15.48 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.919 0.888 . . . . 0.0 111.602 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.14 -19.45 64.81 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -174.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -73.49 -76.29 0.13 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.502 1.121 . . . . 0.0 111.261 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 59.1 m 38.14 34.08 0.06 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 127.845 2.458 . . . . 0.0 116.619 175.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -60.77 -50.58 72.89 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 120.459 -1.4 . . . . 0.0 113.735 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.29 82.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.194 0.998 . . . . 0.0 112.465 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -40.93 98.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.66 1.184 . . . . 0.0 111.945 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 60.9 m -61.01 -34.86 75.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.387 1.075 . . . . 0.0 112.853 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.47 85.48 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.283 0.947 . . . . 0.0 112.568 175.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.99 -45.87 93.03 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.627 -0.671 . . . . 0.0 110.359 174.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.63 -42.88 79.61 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.634 1.574 . . . . 0.0 113.523 174.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 49.4 mt -64.03 -36.27 83.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.318 1.047 . . . . 0.0 113.239 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -77.67 -14.42 59.63 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.12 5.44 25.06 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.502 1.525 . . . . 0.0 115.198 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.48 166.28 11.94 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.173 1.389 . . . . 0.0 112.645 -175.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.7 mt -128.18 76.25 1.68 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.554 1.942 . . . . 0.0 110.042 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 29.1 tp -56.53 116.4 3.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.329 1.451 . . . . 0.0 111.164 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -69.08 160.96 30.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.394 1.078 . . . . 0.0 112.699 -176.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.69 -28.0 69.18 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.097 0.855 . . . . 0.0 114.423 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.95 -27.34 60.15 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.559 -0.965 . . . . 0.0 112.099 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.05 -39.1 13.13 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.161 1.384 . . . . 0.0 112.555 -176.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.01 -41.61 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.75 0.704 . . . . 0.0 110.231 173.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -65.93 -34.37 77.97 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.112 1.365 . . . . 0.0 112.764 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -65.05 -54.32 32.0 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.412 0.551 . . . . 0.0 111.897 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.285 1.9 pp -76.82 -20.33 56.49 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -31.7 72.7 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.118 1.326 . . . . 0.0 111.773 173.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.68 -35.62 52.09 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.538 -0.726 . . . . 0.0 112.095 173.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.81 -16.23 64.01 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 82.4 mt -124.43 15.85 8.94 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.83 2.052 . . . . 0.0 111.804 -176.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -56.76 -28.76 61.74 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.69 1.596 . . . . 0.0 114.399 -174.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 35.6 m -116.22 5.55 13.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.761 1.224 . . . . 0.0 113.698 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -71.21 142.95 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.422 1.089 . . . . 0.0 110.769 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 23.4 m -54.61 128.78 33.89 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.272 1.829 . . . . 0.0 112.741 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.19 -34.29 73.42 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.615 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.5 pt? -80.42 -3.6 50.41 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.707 1.203 . . . . 0.0 113.554 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -119.05 -3.17 10.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.343 1.857 . . . . 0.0 112.996 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 tp -57.86 -45.66 85.96 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.389 0.995 . . . . 0.0 111.922 -174.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.84 -34.19 69.08 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.34 -39.48 78.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.563 0.745 . . . . 0.0 112.045 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -66.34 -51.74 54.17 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 111.336 174.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.47 -18.47 63.81 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.275 1.43 . . . . 0.0 113.245 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -58.78 -33.43 70.31 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.254 -0.904 . . . . 0.0 111.018 174.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.91 -38.43 91.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.678 0.791 . . . . 0.0 111.294 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.87 -52.86 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.407 1.083 . . . . 0.0 108.822 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 82.4 mt -57.07 -43.98 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.886 0.766 . . . . 0.0 110.991 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.93 -21.75 66.88 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.03 -32.34 15.94 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.397 1.079 . . . . 0.0 112.043 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.2 -39.62 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.766 1.227 . . . . 0.0 110.033 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.3 -4.0 3.38 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.729 1.612 . . . . 0.0 114.955 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.35 10.1 17.03 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.062 1.745 . . . . 0.0 113.599 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -107.28 156.15 38.16 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.691 1.596 . . . . 0.0 112.009 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.98 124.29 9.51 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.216 2.61 . . . . 0.0 111.744 175.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -158.37 166.71 31.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.989 1.716 . . . . 0.0 111.441 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -128.93 9.33 5.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.861 1.264 . . . . 0.0 113.893 -174.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 83.2 p -150.23 176.79 10.54 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.068 1.747 . . . . 0.0 111.083 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -87.9 4.63 44.03 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.565 -0.709 . . . . 0.0 112.562 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 16.3 mtp -87.38 131.86 34.15 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.474 -0.766 . . . . 0.0 110.383 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 29.1 mm -113.78 103.98 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.821 0.849 . . . . 0.0 110.528 -173.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.69 169.9 17.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.374 1.47 . . . . 0.0 113.854 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -60.5 -41.66 94.77 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.174 0.99 . . . . 0.0 112.754 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 10.6 p -65.48 -23.97 67.04 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 84.4 t -77.28 -44.52 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.99 0.916 . . . . 0.0 111.069 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.09 -28.8 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 O-C-N 120.946 -1.097 . . . . 0.0 112.829 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -59.61 -25.15 64.41 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.92 1.288 . . . . 0.0 113.403 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.39 -33.66 10.96 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.246 1.418 . . . . 0.0 112.712 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.02 -34.18 77.17 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.011 -1.055 . . . . 0.0 113.287 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.16 -30.3 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.323 -0.861 . . . . 0.0 112.699 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -66.49 -39.72 88.9 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.442 1.097 . . . . 0.0 111.568 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.98 -26.29 59.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.195 1.798 . . . . 0.0 112.372 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m -93.73 -9.46 37.61 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.255 1.348 0 C-N-CA 126.423 1.889 . . . . 0.0 113.465 -176.594 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.539 0.52 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.7 142.18 88.26 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.64 1.176 . . . . 0.0 110.27 173.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -43.97 -51.14 6.8 Favored 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 124.849 3.699 . . . . 0.0 116.394 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -72.54 -35.04 67.94 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.686 -1.259 . . . . 0.0 113.041 -176.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 54.4 ttp85 -68.05 -40.31 82.83 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.406 1.082 . . . . 0.0 111.588 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 tp -65.41 -46.25 80.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.775 2.03 . . . . 0.0 111.345 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -60.52 -45.11 95.03 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.27 1.028 . . . . 0.0 112.267 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 25.9 t -59.0 -47.64 84.45 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.223 0.609 . . . . 0.0 112.005 174.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.67 -29.44 69.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.597 1.159 . . . . 0.0 113.697 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.48 -44.01 25.63 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.331 1.052 . . . . 0.0 113.405 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.88 -40.52 95.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.962 0.905 . . . . 0.0 112.595 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 92.1 p -62.47 -33.6 75.15 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.72 92.6 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.878 0.871 . . . . 0.0 112.411 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 38' ' ' PHE . . . . . 0.503 ' CE1' HD21 ' M' ' 69' ' ' LEU . 35.7 m-85 -66.95 -44.03 81.64 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.538 -0.726 . . . . 0.0 110.655 173.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -57.45 -49.53 75.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.155 1.382 . . . . 0.0 113.098 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 pp -68.38 -26.88 65.78 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -79.14 -12.45 59.99 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.808 1.243 . . . . 0.0 113.171 174.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.12 5.02 35.44 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.849 1.69 . . . . 0.0 115.289 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.2 164.62 12.24 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.519 1.528 . . . . 0.0 112.893 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.2 mt -128.74 81.74 2.04 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.645 1.978 . . . . 0.0 110.283 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 25.2 tp -60.14 121.98 13.27 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.472 1.509 . . . . 0.0 111.357 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -74.97 166.86 22.99 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.502 1.121 . . . . 0.0 113.308 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.2 -22.0 74.19 Favored Glycine 0 CA--C 1.538 1.482 0 N-CA-C 115.707 1.043 . . . . 0.0 115.707 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -89.74 -30.07 18.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.325 1.562 . . . . 0.0 110.15 172.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.98 80.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.519 1.128 . . . . 0.0 111.97 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.2 tp -58.74 -43.52 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.925 0.89 . . . . 0.0 111.263 174.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -64.82 -35.25 80.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.392 1.477 . . . . 0.0 112.867 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -64.17 -51.39 64.05 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.923 0.489 . . . . 0.0 111.85 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.261 3.3 pp -79.83 -15.03 58.2 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -54.19 -52.24 61.82 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.856 1.262 . . . . 0.0 110.877 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.24 -21.98 52.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.37 -16.57 60.37 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.439 1.095 . . . . 0.0 113.566 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 98.2 mt -123.93 -2.93 8.19 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.323 1.449 . . . . 0.0 114.113 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -59.34 -30.46 68.4 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.011 -1.056 . . . . 0.0 113.499 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 75.5 p -85.99 -10.38 55.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.955 1.302 . . . . 0.0 114.446 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.95 139.02 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.895 0.878 . . . . 0.0 111.571 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -57.16 123.37 15.05 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.175 1.79 . . . . 0.0 112.225 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.7 -25.95 65.2 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' M' ' 63' ' ' LEU . 1.9 pp -84.96 -0.18 53.41 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.69 1.596 . . . . 0.0 113.221 177.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.18 -4.93 5.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.929 2.491 . . . . 0.0 112.403 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.53 -39.69 91.96 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.037 1.735 . . . . 0.0 112.192 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.48 -40.01 81.14 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.61 -37.14 84.25 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.412 -0.805 . . . . 0.0 112.355 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -65.57 -54.46 27.64 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.27 1.028 . . . . 0.0 111.78 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 69' ' ' LEU . . . . . 0.503 HD21 ' CE1' ' M' ' 38' ' ' PHE . 6.0 tt -62.26 -29.12 70.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.737 1.215 . . . . 0.0 111.751 -177.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.92 -29.33 69.54 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.182 -0.948 . . . . 0.0 112.094 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -68.7 -36.66 78.76 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.362 -0.836 . . . . 0.0 110.947 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 37.1 mt -64.2 -50.71 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.261 1.024 . . . . 0.0 108.931 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 73.4 mt -58.55 -43.02 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.91 0.777 . . . . 0.0 110.892 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -62.53 -26.12 68.4 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.43 -30.13 25.57 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.149 0.886 . . . . 0.0 111.868 175.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.23 -39.6 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.587 1.155 . . . . 0.0 109.426 172.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -62.4 -17.16 58.48 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.179 1.392 . . . . 0.0 114.655 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -79.63 -18.11 52.27 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -89.1 145.84 35.17 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 124.333 1.053 . . . . 0.0 111.678 -174.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.67 136.65 19.34 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.353 2.036 . . . . 0.0 111.149 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.06 167.19 26.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.711 1.604 . . . . 0.0 111.844 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 42.2 m -126.29 7.26 7.1 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.934 1.294 . . . . 0.0 113.6 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 85.5 p -150.18 173.14 14.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.292 1.837 . . . . 0.0 110.809 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -89.79 7.43 37.0 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.246 -0.909 . . . . 0.0 113.321 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.9 mtp -86.48 129.57 34.81 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.385 -0.822 . . . . 0.0 110.914 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 30.7 mm -113.73 98.48 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.69 1.196 . . . . 0.0 109.979 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.5 168.31 20.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.216 1.006 . . . . 0.0 113.381 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -50.17 -48.86 53.79 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.992 0.917 . . . . 0.0 111.816 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -57.01 -30.14 63.92 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.264 1.025 . . . . 0.0 112.918 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.2 t -76.01 -45.28 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.831 1.252 . . . . 0.0 111.426 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.72 -39.01 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.991 0.917 . . . . 0.0 112.147 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.29 -21.04 61.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.543 1.937 . . . . 0.0 113.068 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.78 -32.26 11.12 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.115 1.766 . . . . 0.0 112.532 173.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.68 75.44 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.037 -1.039 . . . . 0.0 113.48 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.67 -28.82 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.28 -0.888 . . . . 0.0 112.701 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -68.45 -20.41 64.63 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.624 1.57 . . . . 0.0 113.038 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -108.33 -8.59 15.62 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.369 1.868 . . . . 0.0 113.021 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 68.4 p -126.84 2.69 6.66 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -173.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.113 1.765 . . . . 0.0 112.457 176.263 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 CA--C 1.54 0.561 0 CA-C-O 121.826 0.822 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -157.29 165.51 18.63 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 126.542 1.937 . . . . 0.0 110.373 -176.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -50.32 -34.91 42.34 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.972 3.115 . . . . 0.0 115.106 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.66 -33.04 74.96 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.733 0.813 . . . . 0.0 112.627 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -79.34 -32.71 43.35 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.28 -0.887 . . . . 0.0 111.567 174.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.57 -34.71 78.5 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.792 0.724 . . . . 0.0 110.34 172.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -69.46 -38.26 77.67 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.86 1.264 . . . . 0.0 110.701 172.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -66.62 -34.56 78.16 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.124 0.97 . . . . 0.0 113.295 174.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -56.96 -35.82 69.57 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.645 1.178 . . . . 0.0 111.948 174.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.64 -54.48 6.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.589 0.756 . . . . 0.0 112.128 174.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.94 -44.4 96.84 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 78.4 p -60.09 -34.38 73.39 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.33 76.72 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.151 0.887 . . . . 0.0 112.028 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.48 -43.64 98.51 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.343 0.519 . . . . 0.0 110.94 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -60.32 -40.44 90.63 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.79 1.236 . . . . 0.0 113.395 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.26 -36.06 82.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.234 1.014 . . . . 0.0 112.728 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -80.33 -13.93 58.78 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 175.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.16 9.82 29.0 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.675 1.607 . . . . 0.0 115.563 174.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.26 164.84 12.49 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.284 1.434 . . . . 0.0 113.159 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -127.56 76.28 1.66 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.995 2.118 . . . . 0.0 109.797 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.16 120.32 8.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.536 1.535 . . . . 0.0 111.814 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -72.78 165.42 24.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.775 1.23 . . . . 0.0 113.019 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.87 -35.0 91.39 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.085 0.85 . . . . 0.0 114.774 -177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.27 -32.36 62.89 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.818 1.309 . . . . 0.0 111.246 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.41 -43.3 60.75 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.23 1.012 . . . . 0.0 113.009 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -44.13 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.62 0.645 . . . . 0.0 109.551 174.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -59.99 -42.8 95.02 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.636 1.174 . . . . 0.0 111.892 174.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -58.67 -52.59 65.03 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.625 0.77 . . . . 0.0 111.873 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.267 3.0 pp -72.85 -24.04 60.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 177.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -64.44 -41.08 96.77 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.097 0.959 . . . . 0.0 111.297 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -67.53 -35.12 78.48 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.569 -0.707 . . . . 0.0 112.452 174.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.29 71.72 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.949 0.9 . . . . 0.0 113.221 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.23 5.7 50.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.652 1.581 . . . . 0.0 112.945 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -52.61 -31.39 36.22 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.485 1.514 . . . . 0.0 113.723 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 32.9 m -110.62 3.92 19.76 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.801 1.24 . . . . 0.0 113.645 -177.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -75.06 141.8 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.214 1.006 . . . . 0.0 110.649 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 24.6 m -55.48 126.61 25.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.101 1.76 . . . . 0.0 112.3 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.74 -37.19 75.65 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.582 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.5 pt? -77.25 -5.0 47.69 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.936 1.295 . . . . 0.0 113.98 176.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -117.3 0.07 12.15 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.873 2.069 . . . . 0.0 112.228 176.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 43.6 tp -61.66 -41.33 97.4 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.275 1.43 . . . . 0.0 111.818 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.78 -45.24 68.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.368 0.667 . . . . 0.0 111.775 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.61 -34.45 77.04 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.479 -0.763 . . . . 0.0 112.377 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -68.2 -56.4 8.85 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.966 1.306 . . . . 0.0 110.412 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.67 -24.48 67.8 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.8 0.84 . . . . 0.0 113.175 -176.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.02 -34.0 72.77 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.417 -0.802 . . . . 0.0 111.219 174.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -71.01 -33.5 70.42 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.914 0.886 . . . . 0.0 111.224 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 44.0 mt -63.88 -51.39 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.23 -42.39 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.123 0.569 . . . . 0.0 110.959 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.23 -24.21 67.77 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 175.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.66 -26.75 21.7 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.417 1.087 . . . . 0.0 112.343 174.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.14 -41.1 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.882 1.273 . . . . 0.0 109.512 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -65.03 -6.16 8.06 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.289 1.836 . . . . 0.0 115.873 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -117.45 4.02 12.48 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -87.19 154.82 54.85 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.754 1.222 . . . . 0.0 111.37 174.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.18 129.02 12.67 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.665 2.243 . . . . 0.0 111.707 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.75 168.84 24.96 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.099 1.759 . . . . 0.0 111.802 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.1 p -126.31 3.39 7.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.563 1.545 . . . . 0.0 114.208 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 75.8 p -148.81 176.9 10.0 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.327 1.851 . . . . 0.0 111.159 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -90.91 7.46 39.99 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.594 -0.691 . . . . 0.0 112.593 176.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 12.5 mtp -86.49 129.55 34.82 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 121.496 -0.753 . . . . 0.0 110.378 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 32.1 mm -112.86 101.39 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.855 0.862 . . . . 0.0 110.465 -173.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -78.88 170.49 16.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.94 1.296 . . . . 0.0 113.568 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -51.79 -49.0 63.56 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.111 0.964 . . . . 0.0 111.617 175.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -58.3 -26.2 62.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.671 0.788 . . . . 0.0 112.877 -176.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 67.1 t -79.47 -46.63 22.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.511 1.124 . . . . 0.0 111.852 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 18.6 m -68.39 -30.04 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 121.045 -1.034 . . . . 0.0 113.535 174.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -62.47 -21.45 65.47 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.766 1.626 . . . . 0.0 113.046 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.59 -32.06 9.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.632 1.573 . . . . 0.0 112.274 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.22 82.75 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.159 -0.963 . . . . 0.0 113.228 175.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.8 p -60.55 -33.17 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.649 -0.657 . . . . 0.0 112.488 176.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -71.78 -24.3 61.72 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.787 1.635 . . . . 0.0 112.547 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -93.09 -9.25 40.25 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.807 1.643 . . . . 0.0 113.012 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 68.2 p -126.34 7.98 7.12 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -173.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.244 1.818 . . . . 0.0 112.744 178.282 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 10.7 tpt . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 120.678 0.275 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.19 125.63 12.5 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.082 1.353 . . . . 0.0 110.676 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.14 -33.15 52.68 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.956 3.104 . . . . 0.0 114.685 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.89 -23.48 61.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.362 1.065 . . . . 0.0 113.701 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -75.47 -15.73 60.39 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 174.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 pp -133.8 -16.96 2.23 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 -173.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -67.47 -55.19 14.6 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.303 1.411 . . . . 0.0 112.386 -175.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 87.5 p -64.48 -34.51 78.38 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.707 0.403 . . . . 0.0 112.085 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -60.03 -52.97 63.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.498 1.119 . . . . 0.0 110.634 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.28 99.55 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -44.31 97.45 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.886 -0.509 . . . . 0.0 111.444 174.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 33.7 p -64.34 -33.16 75.2 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.96 96.52 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.033 0.933 . . . . 0.0 112.0 174.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.75 -45.02 91.73 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.805 -0.559 . . . . 0.0 110.573 173.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.48 -47.89 84.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.73 -26.06 65.96 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.106 0.867 . . . . 0.0 113.32 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 74.8 mmt-85 -77.43 -12.3 59.94 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.898 1.279 . . . . 0.0 113.036 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.69 4.89 26.25 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.633 1.587 . . . . 0.0 115.67 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -100.8 169.91 8.68 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.205 1.402 . . . . 0.0 112.842 -174.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 97.0 mt -129.62 78.01 1.82 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.076 1.75 . . . . 0.0 109.721 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.4 tp -56.57 117.34 3.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.116 1.366 . . . . 0.0 111.47 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -70.87 161.61 30.71 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.526 1.13 . . . . 0.0 112.241 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.38 -29.55 73.62 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 123.863 0.744 . . . . 0.0 113.923 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -22.9 60.84 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.413 -1.051 . . . . 0.0 112.908 174.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.35 -38.59 10.91 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.067 1.347 . . . . 0.0 112.691 -178.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.3 tp -60.82 -39.88 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.267 -0.895 . . . . 0.0 111.429 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -69.28 -21.19 63.9 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -76.12 -55.52 5.51 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.81 0.844 . . . . 0.0 110.695 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 pp -78.52 -19.47 52.87 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 6.4 t -61.27 -35.91 78.59 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.584 1.084 . . . . 0.0 111.916 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.81 -35.44 51.34 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.112 -0.993 . . . . 0.0 112.239 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.33 -17.46 64.78 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.1 mt -107.56 -4.9 17.9 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.601 1.561 . . . . 0.0 113.072 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.42 -29.72 69.17 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.24 1.016 . . . . 0.0 112.22 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 76.8 p -81.51 3.85 23.35 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.641 1.576 . . . . 0.0 114.43 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mm -116.49 144.07 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.924 1.69 . . . . 0.0 111.208 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 42.4 m -54.82 127.33 28.03 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.348 1.859 . . . . 0.0 112.112 174.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.29 -30.24 68.18 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 63' ' ' LEU . . . . . 0.579 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.1 pt? -83.21 -2.06 54.61 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.097 1.359 . . . . 0.0 114.438 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.41 2.99 11.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.469 1.907 . . . . 0.0 111.96 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -56.78 -44.38 81.81 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.619 1.968 . . . . 0.0 112.483 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -68.0 -45.28 74.52 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.977 0.511 . . . . 0.0 112.052 -176.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -64.84 -34.22 77.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.44 0.696 . . . . 0.0 112.305 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -68.49 -54.34 17.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.073 0.949 . . . . 0.0 111.464 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.56 -25.16 67.13 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.174 1.39 . . . . 0.0 113.073 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.44 -33.13 70.89 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.666 0.787 . . . . 0.0 111.314 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -73.71 -32.51 63.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.465 1.106 . . . . 0.0 111.604 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.9 -52.22 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.01 -42.0 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.613 -0.68 . . . . 0.0 111.108 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -61.42 -26.51 67.91 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.61 -33.11 23.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.561 0.744 . . . . 0.0 111.911 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 67.4 t -64.0 -41.97 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.648 1.179 . . . . 0.0 110.559 173.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.01 -6.52 8.82 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.98 1.712 . . . . 0.0 115.541 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -120.73 2.86 10.63 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -79.65 154.94 76.16 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 123.603 0.761 . . . . 0.0 109.866 173.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.44 113.92 3.91 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.353 2.035 . . . . 0.0 111.805 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.71 166.65 32.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.752 1.621 . . . . 0.0 111.966 176.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -131.14 17.1 5.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.366 1.466 . . . . 0.0 112.829 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 20.5 t -149.31 170.99 17.24 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.38 1.872 . . . . 0.0 110.401 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -99.93 2.24 43.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.872 0.869 . . . . 0.0 112.937 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.8 mtp -80.74 131.96 35.49 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.385 -0.822 . . . . 0.0 110.443 176.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.6 mm -114.71 104.15 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.922 0.889 . . . . 0.0 110.754 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -79.84 170.08 17.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.737 1.615 . . . . 0.0 113.737 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -53.55 -49.7 67.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.628 0.771 . . . . 0.0 112.06 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 15.2 m -59.02 -24.97 63.27 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.969 0.908 . . . . 0.0 113.193 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.67 -45.88 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.274 1.03 . . . . 0.0 112.043 175.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 23.9 m -69.51 -32.54 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 CA-C-N 119.796 1.18 . . . . 0.0 112.975 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.1 -21.9 66.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.947 1.699 . . . . 0.0 112.888 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.13 -31.07 11.23 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.61 1.564 . . . . 0.0 113.041 174.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.67 87.72 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.288 -0.882 . . . . 0.0 113.221 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.6 p -58.98 -26.93 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -66.28 -12.06 54.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.293 1.837 . . . . 0.0 113.454 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -117.64 -22.65 7.97 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.118 1.367 . . . . 0.0 113.255 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 98.5 p -80.0 -16.31 55.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.899 1.68 . . . . 0.0 112.315 -174.215 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 CA--C 1.544 0.722 0 CA-C-O 122.799 1.285 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.35 159.5 15.96 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 126.195 1.798 . . . . 0.0 113.555 174.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -48.62 -36.66 32.7 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.888 3.725 . . . . 0.0 115.497 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.82 -34.16 75.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.787 0.835 . . . . 0.0 112.7 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -77.84 -40.36 40.56 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.797 0.839 . . . . 0.0 111.142 174.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 66.4 mt -57.74 -39.43 77.31 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.343 1.057 . . . . 0.0 111.249 174.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -58.55 -49.61 76.81 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.445 1.498 . . . . 0.0 111.976 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 45.2 m -69.39 -39.83 77.74 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -62.86 -46.0 89.91 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.402 0.681 . . . . 0.0 111.746 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.4 -39.91 80.97 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.522 1.529 . . . . 0.0 113.478 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.3 -36.93 74.07 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.53 1.132 . . . . 0.0 112.693 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 54.2 p -57.95 -34.83 70.34 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.66 69.13 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.41 -0.806 . . . . 0.0 112.217 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -64.66 -40.85 96.14 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.318 0.647 . . . . 0.0 110.744 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -60.02 -44.55 94.54 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.119 1.368 . . . . 0.0 112.42 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 43.1 mt -60.59 -36.46 78.6 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.133 0.973 . . . . 0.0 113.061 176.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -79.92 -7.12 58.58 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 175.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.45 11.97 57.68 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.211 1.386 . . . . 0.0 114.825 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.96 160.48 23.33 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.55 1.175 . . . . 0.0 111.901 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 98.0 mt -124.33 50.58 1.67 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.209 2.204 . . . . 0.0 109.758 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 45' ' ' LEU . . . . . 0.414 HD23 HD13 ' M' ' 50' ' ' ILE . 50.3 tp -47.39 120.98 3.53 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.399 1.88 . . . . 0.0 112.219 178.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -60.95 156.08 18.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.984 1.314 . . . . 0.0 112.918 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.86 -26.43 72.2 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.208 0.909 . . . . 0.0 114.725 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -75.67 -33.46 60.41 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.278 1.039 . . . . 0.0 110.889 173.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.01 -41.54 35.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.843 1.257 . . . . 0.0 112.462 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 50' ' ' ILE . . . . . 0.414 HD13 HD23 ' M' ' 45' ' ' LEU . 11.2 tp -63.36 -39.1 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-O 121.198 0.523 . . . . 0.0 111.081 174.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.27 -42.28 99.1 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.154 1.382 . . . . 0.0 111.473 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -58.13 -49.98 75.1 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.395 0.543 . . . . 0.0 111.971 176.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.27 2.9 pp -74.14 -20.31 60.27 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -34.89 79.32 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 120.665 1.575 . . . . 0.0 111.607 174.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.21 -33.55 70.02 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.586 -0.696 . . . . 0.0 112.008 174.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.83 -10.67 60.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.438 1.095 . . . . 0.0 113.67 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.5 mt -125.36 13.27 8.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.869 2.068 . . . . 0.0 112.211 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -53.53 -25.71 18.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.732 2.013 . . . . 0.0 115.192 -174.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -124.96 10.64 8.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.653 1.181 . . . . 0.0 113.243 -177.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mm -72.26 141.05 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.69 0.796 . . . . 0.0 111.02 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 10.4 m -56.01 130.46 43.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.898 1.679 . . . . 0.0 112.629 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.68 -31.32 62.3 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -174.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 pp -96.94 -7.05 34.17 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.515 1.126 . . . . 0.0 113.393 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -101.26 -12.97 18.28 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.449 1.5 . . . . 0.0 112.397 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 tp -54.39 -43.81 71.74 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.271 1.828 . . . . 0.0 112.181 -174.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -71.91 -25.69 62.01 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -85.82 -36.74 19.85 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.542 1.137 . . . . 0.0 111.433 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -63.2 -54.41 37.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.031 1.332 . . . . 0.0 111.286 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.85 -22.88 66.57 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.635 0.774 . . . . 0.0 112.925 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.61 -28.41 69.34 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.172 -0.955 . . . . 0.0 111.207 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.48 -37.19 79.91 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.543 -0.723 . . . . 0.0 111.1 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.59 -51.55 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.128 0.971 . . . . 0.0 108.754 174.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.77 -46.76 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.97 0.908 . . . . 0.0 110.848 177.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -63.32 -28.0 69.71 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 176.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.95 -25.73 34.59 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.282 0.946 . . . . 0.0 112.335 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.99 -38.9 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.377 -0.827 . . . . 0.0 109.462 172.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.64 -28.57 70.0 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -73.52 -15.54 61.3 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -89.01 129.1 49.47 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.345 1.058 . . . . 0.0 110.26 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.66 129.16 33.51 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.925 2.417 . . . . 0.0 112.541 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 pp -153.92 168.15 27.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.229 1.412 . . . . 0.0 112.504 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 80.4 p -139.47 9.8 2.47 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.313 1.445 . . . . 0.0 113.847 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 44.5 m -157.05 163.45 39.02 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.003 1.721 . . . . 0.0 111.098 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -93.33 4.92 53.19 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.62 1.168 . . . . 0.0 113.639 -175.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 10.3 ttm -90.1 82.58 6.07 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.643 1.177 . . . . 0.0 111.303 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 23.0 mm -68.22 138.75 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.442 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -122.91 166.47 14.98 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.484 1.113 . . . . 0.0 112.666 -174.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -57.8 -40.64 80.41 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.519 -0.738 . . . . 0.0 112.182 -174.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 21.8 t -59.16 -34.93 72.69 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 85.8 t -73.38 -43.99 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.925 0.89 . . . . 0.0 111.063 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.36 -39.82 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 121.546 -0.721 . . . . 0.0 112.042 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -59.0 -15.94 15.72 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.464 1.506 . . . . 0.0 114.096 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.2 -33.51 9.16 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.558 1.543 . . . . 0.0 111.81 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.62 87.23 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.429 1.091 . . . . 0.0 113.142 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.17 -29.11 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.542 1.137 . . . . 0.0 112.78 175.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -70.92 -21.35 62.37 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.881 1.272 . . . . 0.0 112.973 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -105.69 -8.14 18.05 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.097 1.359 . . . . 0.0 112.805 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 62.8 p -122.41 2.27 9.65 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -174.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.549 1.939 . . . . 0.0 112.363 176.85 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.74 -43.64 97.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.438 0.563 . . . . 0.0 110.63 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 48.6 m -59.45 -36.93 76.86 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.39 96.59 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . 0.434 ' CE1' HD21 ' M' ' 69' ' ' LEU . 31.9 m-85 -69.54 -41.83 75.42 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.434 0.694 . . . . 0.0 111.168 173.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.91 -37.98 84.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.96 -24.93 66.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.53 1.132 . . . . 0.0 113.388 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -97.36 -1.37 44.65 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.553 1.541 . . . . 0.0 113.794 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.57 1.07 74.89 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 125.19 1.376 . . . . 0.0 114.752 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -85.13 167.98 15.24 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 122.889 1.328 . . . . 0.0 111.621 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.94 158.43 40.26 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 128.075 2.55 . . . . 0.0 106.975 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 33.5 tp -137.71 125.87 23.03 Favored 'General case' 0 C--O 1.238 0.466 0 O-C-N 121.673 -0.642 . . . . 0.0 111.974 -173.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -57.08 156.57 6.91 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.909 1.684 . . . . 0.0 113.82 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.1 -33.63 85.93 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 123.853 0.739 . . . . 0.0 114.318 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -73.23 -28.23 62.04 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.189 -1.183 . . . . 0.0 111.852 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.95 -43.08 20.27 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.541 1.136 . . . . 0.0 112.861 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 tp -58.8 -44.91 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.496 0.718 . . . . 0.0 110.359 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.76 -43.86 94.1 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.324 1.45 . . . . 0.0 112.028 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -58.32 -53.67 55.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.285 0.634 . . . . 0.0 111.597 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.277 4.0 pp -74.37 -24.2 59.12 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 178.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -63.2 -40.7 98.25 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.447 -0.783 . . . . 0.0 110.256 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.99 -37.05 67.16 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.557 -0.714 . . . . 0.0 112.296 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.49 65.39 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -110.49 7.47 22.67 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.155 1.782 . . . . 0.0 112.66 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -51.61 -30.0 19.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.129 1.772 . . . . 0.0 115.162 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 45.8 m -116.87 6.32 13.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.767 1.227 . . . . 0.0 113.58 -176.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.09 142.96 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.982 0.913 . . . . 0.0 110.633 174.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 22.5 m -52.9 129.46 30.32 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.009 1.723 . . . . 0.0 112.901 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.72 -32.69 67.66 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.611 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -88.03 -4.24 58.81 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.887 1.275 . . . . 0.0 113.754 177.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -114.12 -6.91 13.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.184 1.794 . . . . 0.0 112.567 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 64.5 tp -57.6 -41.95 82.26 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.837 1.655 . . . . 0.0 111.887 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.31 -46.03 71.38 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.303 0.641 . . . . 0.0 111.871 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.38 -34.53 78.54 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.183 0.993 . . . . 0.0 112.868 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -68.82 -53.93 18.7 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.02 1.328 . . . . 0.0 112.202 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . 0.434 HD21 ' CE1' ' M' ' 38' ' ' PHE . 6.1 tt -60.97 -26.2 67.38 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.907 1.283 . . . . 0.0 111.878 178.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.38 -26.82 68.68 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.075 -1.016 . . . . 0.0 112.318 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.97 -29.41 64.21 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.496 -0.753 . . . . 0.0 111.79 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 52.3 mt -69.13 -50.82 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.16 -43.51 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.361 0.664 . . . . 0.0 111.502 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -60.62 -25.17 66.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.7 -40.84 18.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.91 0.777 . . . . 0.0 111.387 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.85 -40.09 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.891 0.876 . . . . 0.0 111.136 173.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.0 -7.64 5.71 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -125.97 10.64 7.62 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.497 1.519 . . . . 0.0 114.033 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -99.23 154.56 37.24 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 125.392 1.477 . . . . 0.0 111.678 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.28 126.07 11.96 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.007 2.471 . . . . 0.0 111.594 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.03 167.62 29.82 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.254 1.821 . . . . 0.0 112.0 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 80.1 p -138.72 8.05 2.55 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.044 1.338 . . . . 0.0 114.179 -174.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.6 t -153.28 159.74 42.6 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.312 1.845 . . . . 0.0 110.559 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -77.83 -5.25 50.24 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.489 -0.757 . . . . 0.0 112.181 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 52.1 tpp -83.13 104.19 13.12 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.869 1.267 . . . . 0.0 110.749 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mm -80.32 143.04 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 125.316 1.446 . . . . 0.0 110.243 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -126.12 165.95 17.93 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.455 1.502 . . . . 0.0 113.226 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -54.93 -44.68 74.48 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.426 -0.796 . . . . 0.0 111.872 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 17.9 t -57.48 -33.81 68.38 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.445 0.698 . . . . 0.0 112.803 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.77 -46.71 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.883 0.873 . . . . 0.0 111.018 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.7 -38.44 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.024 0.93 . . . . 0.0 112.659 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -60.15 -21.5 61.71 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.121 1.769 . . . . 0.0 113.307 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.91 -32.75 10.06 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.91 1.684 . . . . 0.0 112.5 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.88 80.02 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.1 0.96 . . . . 0.0 113.506 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.64 -30.87 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.895 0.878 . . . . 0.0 112.746 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -62.88 -33.41 75.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.601 1.161 . . . . 0.0 112.36 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -78.43 -32.39 48.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.272 1.029 . . . . 0.0 112.133 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 24.1 p -73.54 -22.29 60.14 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.97 2.108 . . . . 0.0 113.539 -174.302 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.09 -44.93 87.27 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.732 0.413 . . . . 0.0 111.975 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -60.1 -37.26 79.45 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.42 0.688 . . . . 0.0 112.26 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.65 98.64 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.337 -0.852 . . . . 0.0 112.327 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -67.15 -42.36 84.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.289 0.636 . . . . 0.0 111.168 173.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.62 -38.79 85.88 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.507 1.123 . . . . 0.0 113.648 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 56.5 mt -60.69 -30.65 70.07 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.467 1.107 . . . . 0.0 112.59 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -87.15 -7.29 58.14 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.91 1.284 . . . . 0.0 113.452 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.3 -0.26 59.99 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.953 1.74 . . . . 0.0 114.584 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.79 165.44 16.01 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.2 1.4 . . . . 0.0 112.13 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 88.7 mt -131.93 94.56 3.51 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.984 1.714 . . . . 0.0 109.404 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.43 121.63 13.15 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.074 0.95 . . . . 0.0 110.875 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -63.93 159.98 18.67 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.074 1.35 . . . . 0.0 113.62 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.49 -31.88 81.63 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 123.896 0.76 . . . . 0.0 114.034 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -75.55 -22.7 56.83 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.065 -1.256 . . . . 0.0 112.043 172.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.72 -41.09 12.78 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.147 1.379 . . . . 0.0 113.05 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 tp -55.68 -43.67 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 123.832 0.853 . . . . 0.0 110.852 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -61.57 -43.8 98.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.254 1.422 . . . . 0.0 112.192 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -60.38 -52.56 64.74 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.403 0.681 . . . . 0.0 111.97 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.284 3.4 pp -73.43 -23.37 60.12 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -62.61 -39.18 92.95 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.158 0.89 . . . . 0.0 110.525 173.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -74.25 -36.26 63.86 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.422 0.689 . . . . 0.0 112.511 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.02 -19.09 64.11 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 62.2 mt -120.26 14.26 12.09 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.597 1.959 . . . . 0.0 111.781 -175.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -61.29 -16.41 45.43 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 74.5 p -116.71 -0.81 12.25 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.942 1.697 . . . . 0.0 113.7 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mm -74.33 141.21 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.377 1.071 . . . . 0.0 111.05 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m -56.4 127.79 32.79 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.936 1.695 . . . . 0.0 112.845 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.4 -24.88 58.11 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -174.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.609 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -98.53 -10.32 23.66 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.546 1.138 . . . . 0.0 113.629 177.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -97.86 -17.99 18.97 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.596 1.558 . . . . 0.0 111.714 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 58.5 tp -53.89 -37.67 63.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.654 1.982 . . . . 0.0 112.777 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -68.22 -27.22 66.18 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -92.16 -36.0 13.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.165 1.386 . . . . 0.0 111.933 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -61.41 -50.24 73.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.41 1.084 . . . . 0.0 111.345 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.01 -20.98 66.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.392 1.077 . . . . 0.0 112.752 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.13 -24.97 67.89 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 120.954 -1.092 . . . . 0.0 111.905 175.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -72.06 -32.34 66.99 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.204 -0.935 . . . . 0.0 111.467 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.78 -50.84 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 84.8 mt -53.1 -48.52 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.798 0.839 . . . . 0.0 111.193 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -61.85 -26.13 67.94 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.48 -31.59 26.44 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.863 0.865 . . . . 0.0 112.301 174.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.66 -38.79 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.703 1.201 . . . . 0.0 110.45 173.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -58.98 -12.7 4.9 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -116.99 3.89 12.8 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -87.27 152.61 52.96 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.928 0.891 . . . . 0.0 110.815 173.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.41 125.49 10.21 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.501 2.134 . . . . 0.0 111.436 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 pp -155.61 168.18 28.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.636 1.574 . . . . 0.0 112.093 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -137.28 14.72 3.01 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.31 1.444 . . . . 0.0 112.932 -175.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -150.32 158.62 44.36 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.416 1.886 . . . . 0.0 110.55 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -80.14 -3.57 49.39 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 1.3 mmt -73.44 128.49 35.65 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.543 -0.723 . . . . 0.0 110.019 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 mm -109.09 99.38 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.857 0.863 . . . . 0.0 109.503 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.87 164.22 26.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.414 1.485 . . . . 0.0 113.988 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.42 -47.16 66.5 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.903 1.281 . . . . 0.0 111.99 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 19.4 m -64.88 -26.19 68.22 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.47 1.108 . . . . 0.0 113.575 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.26 -41.75 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.172 0.989 . . . . 0.0 110.148 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.96 -35.85 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 121.432 -0.793 . . . . 0.0 111.731 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -56.76 -25.95 56.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.981 1.312 . . . . 0.0 113.343 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.64 -30.71 12.68 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.294 1.438 . . . . 0.0 113.15 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.4 81.74 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.156 -0.965 . . . . 0.0 113.196 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.97 -27.82 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.09 -1.006 . . . . 0.0 113.151 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -67.55 -20.68 65.44 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.521 1.529 . . . . 0.0 112.706 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -100.45 -35.36 9.58 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.025 1.73 . . . . 0.0 111.263 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 28.2 p -72.44 -15.95 61.82 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.757 1.623 . . . . 0.0 113.195 -172.855 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -42.74 99.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.928 0.891 . . . . 0.0 111.699 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -58.45 -40.34 82.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.663 1.185 . . . . 0.0 112.637 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.33 98.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.497 0.719 . . . . 0.0 112.853 175.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -70.05 -41.1 74.64 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.204 -0.935 . . . . 0.0 111.229 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -57.26 -49.92 74.52 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.384 1.474 . . . . 0.0 112.226 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.7 -26.41 65.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -71.76 -32.62 67.88 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.768 1.227 . . . . 0.0 112.298 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.02 4.42 6.02 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.237 1.875 . . . . 0.0 114.887 176.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -99.55 167.0 10.88 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.631 1.572 . . . . 0.0 112.175 -174.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.57 83.1 2.11 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.033 1.733 . . . . 0.0 109.166 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.37 115.82 3.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.277 1.031 . . . . 0.0 110.736 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -64.25 162.2 15.13 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.739 1.616 . . . . 0.0 113.303 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.85 -43.01 99.79 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 123.814 0.721 . . . . 0.0 113.427 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 23.6 pm0 -65.86 -24.25 66.83 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.47 -1.017 . . . . 0.0 113.144 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.36 -44.16 10.4 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.656 1.182 . . . . 0.0 112.698 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -43.32 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.615 0.766 . . . . 0.0 109.765 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -58.93 -44.19 91.29 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.811 1.644 . . . . 0.0 111.777 174.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.56 -53.2 60.38 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 122.973 0.509 . . . . 0.0 112.013 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.297 3.1 pp -71.67 -21.17 61.84 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 177.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.8 m -63.97 -39.11 93.39 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.019 0.928 . . . . 0.0 109.902 172.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -75.4 -35.54 61.0 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.577 -0.702 . . . . 0.0 112.045 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.12 -19.67 65.65 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -115.7 12.36 15.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.851 1.66 . . . . 0.0 112.906 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -60.87 -18.0 53.64 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 24.4 m -109.53 12.25 24.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.248 1.819 . . . . 0.0 113.033 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.21 142.68 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.262 1.425 . . . . 0.0 110.622 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 39.6 m -53.41 129.22 31.39 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.644 1.978 . . . . 0.0 112.869 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.09 -32.83 68.45 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.547 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.3 pt? -85.02 -4.19 59.06 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.726 1.21 . . . . 0.0 114.197 176.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -114.93 -14.79 11.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.403 1.481 . . . . 0.0 112.74 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.0 -43.04 63.46 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.625 1.57 . . . . 0.0 111.937 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -69.56 -26.26 64.4 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -88.27 -37.68 15.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.546 1.138 . . . . 0.0 111.815 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -60.79 -49.43 77.53 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.831 1.252 . . . . 0.0 111.221 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.86 -19.44 64.14 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.069 1.347 . . . . 0.0 113.242 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.88 -28.29 69.4 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.07 -1.019 . . . . 0.0 111.645 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -71.92 -34.34 68.99 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.936 0.895 . . . . 0.0 111.632 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 61.0 mt -64.66 -50.89 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 173.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -52.59 -50.14 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.163 0.985 . . . . 0.0 111.214 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -63.48 -23.49 67.42 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.79 -26.44 25.77 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.359 0.981 . . . . 0.0 112.486 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.42 -39.5 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.964 1.306 . . . . 0.0 109.892 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -62.59 -8.41 6.39 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.55 6.63 12.53 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -91.18 155.11 44.86 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.602 1.161 . . . . 0.0 111.42 174.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.16 133.45 17.95 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.801 2.334 . . . . 0.0 111.304 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.34 167.23 27.88 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.21 1.804 . . . . 0.0 111.847 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 34.4 m -124.62 2.14 8.25 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.848 1.259 . . . . 0.0 114.079 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 93.8 p -152.85 175.18 13.18 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.003 1.721 . . . . 0.0 110.706 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -85.44 6.58 26.1 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.324 -0.86 . . . . 0.0 113.188 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -75.64 131.98 40.3 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.37 -0.831 . . . . 0.0 110.03 174.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.4 mm -113.76 98.38 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 123.956 0.903 . . . . 0.0 108.671 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.78 168.76 19.52 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.593 1.157 . . . . 0.0 113.886 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -51.0 -49.9 59.51 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.127 0.971 . . . . 0.0 111.459 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -58.56 -30.74 67.37 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.031 0.932 . . . . 0.0 112.873 -175.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.15 -43.65 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.658 1.183 . . . . 0.0 111.159 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -67.87 -37.81 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 121.276 -0.89 . . . . 0.0 112.112 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.27 -20.46 59.13 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.293 1.837 . . . . 0.0 113.127 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.12 -33.8 10.31 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.152 1.781 . . . . 0.0 112.334 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.49 82.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.104 0.962 . . . . 0.0 113.318 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.2 -30.7 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.554 1.141 . . . . 0.0 112.543 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -65.26 -32.98 74.92 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.392 1.077 . . . . 0.0 111.784 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -87.37 -15.43 37.88 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.689 1.996 . . . . 0.0 113.5 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 57.7 p -125.8 -5.94 6.86 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.008 1.723 . . . . 0.0 113.606 174.718 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.07 -44.15 96.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.884 0.874 . . . . 0.0 111.936 174.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 70.7 m -60.35 -35.46 75.72 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.111 0.965 . . . . 0.0 112.799 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.92 95.75 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.996 -1.065 . . . . 0.0 112.697 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -62.4 -45.68 92.04 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.541 -0.724 . . . . 0.0 110.278 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -57.14 -41.92 80.02 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.327 1.451 . . . . 0.0 113.162 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 57.0 mt -64.77 -35.05 79.84 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.466 1.106 . . . . 0.0 113.27 175.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -77.16 -12.72 59.98 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.87 5.72 30.86 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.978 1.752 . . . . 0.0 114.841 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.91 166.29 12.8 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 112.443 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 90.7 mt -124.98 81.54 1.97 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.586 1.954 . . . . 0.0 109.339 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 tp -61.63 115.75 4.19 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.394 1.078 . . . . 0.0 110.8 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -60.39 157.19 14.32 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.296 1.438 . . . . 0.0 112.476 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.41 -30.09 75.26 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 123.425 0.536 . . . . 0.0 113.694 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.2 -21.1 59.96 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.291 -1.123 . . . . 0.0 113.079 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.45 -37.29 10.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.934 1.293 . . . . 0.0 112.448 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 tp -61.03 -39.78 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 121.36 -0.838 . . . . 0.0 111.372 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.78 -20.77 63.46 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -74.49 -52.46 11.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.66 0.784 . . . . 0.0 110.954 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.25 2.1 pp -84.86 -16.37 41.48 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -175.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 5.7 t -66.08 -34.31 77.78 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.013 1.278 . . . . 0.0 110.862 173.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -69.73 -34.07 73.34 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.992 -1.068 . . . . 0.0 111.539 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.34 -14.69 63.17 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.286 1.034 . . . . 0.0 113.005 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 94.8 mt -105.78 -2.08 23.59 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.148 1.779 . . . . 0.0 113.331 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -55.22 -26.54 40.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.041 1.336 . . . . 0.0 113.926 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 38.9 m -115.82 22.98 12.63 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.571 1.549 . . . . 0.0 112.48 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mm -116.29 144.28 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.87 1.668 . . . . 0.0 110.689 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 30.4 m -52.72 134.96 36.05 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.028 2.131 . . . . 0.0 113.542 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.51 -16.28 45.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -108.51 4.71 24.48 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.282 1.433 . . . . 0.0 113.447 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -126.51 -4.72 6.57 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.531 1.532 . . . . 0.0 113.257 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 pp -58.95 -36.22 74.43 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.016 0.926 . . . . 0.0 112.629 -174.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.6 -45.12 63.08 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.228 0.611 . . . . 0.0 111.338 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.74 -36.83 84.31 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.809 0.843 . . . . 0.0 112.341 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -66.18 -55.26 17.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.752 1.221 . . . . 0.0 110.879 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.0 -19.83 65.99 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.364 1.065 . . . . 0.0 113.08 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.31 -32.16 68.19 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.243 -0.911 . . . . 0.0 110.819 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.29 -37.6 77.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.145 0.978 . . . . 0.0 111.121 176.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 49.6 mt -63.28 -51.62 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.453 1.101 . . . . 0.0 108.868 174.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 98.9 mt -56.39 -44.09 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.635 0.774 . . . . 0.0 111.213 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.22 -25.47 68.35 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.15 -30.16 21.26 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.435 1.016 . . . . 0.0 112.085 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.18 -42.37 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.294 1.438 . . . . 0.0 109.795 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.34 -24.7 67.48 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -81.49 -15.23 55.62 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -81.08 128.85 69.53 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 124.128 0.971 . . . . 0.0 110.115 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.41 132.02 49.69 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.594 2.196 . . . . 0.0 113.174 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 pp -157.22 170.28 22.84 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.501 1.52 . . . . 0.0 112.148 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.9 p -137.38 7.63 2.85 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.239 1.416 . . . . 0.0 113.986 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 46.8 m -157.65 161.97 38.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.444 1.898 . . . . 0.0 110.752 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -80.62 1.77 28.44 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 21.9 ttm -82.42 130.46 35.11 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.083 0.953 . . . . 0.0 111.303 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -115.3 115.43 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.504 1.122 . . . . 0.0 110.559 -174.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -94.21 171.37 8.87 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.201 1.4 . . . . 0.0 113.727 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -56.27 -45.86 79.92 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.474 -0.766 . . . . 0.0 112.127 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 9.4 t -54.63 -32.91 59.76 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 87.0 t -74.86 -46.83 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.891 0.877 . . . . 0.0 111.944 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 28.0 m -70.61 -31.99 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 119.881 1.219 . . . . 0.0 113.141 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -63.69 -20.12 65.46 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.979 1.711 . . . . 0.0 112.958 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.23 -31.75 11.22 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.754 1.622 . . . . 0.0 112.545 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.45 82.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.123 -0.986 . . . . 0.0 113.26 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.1 -28.39 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.794 0.837 . . . . 0.0 112.867 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -66.62 -16.95 64.56 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.51 1.524 . . . . 0.0 113.203 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -116.9 -6.59 11.46 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.545 1.538 . . . . 0.0 113.277 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 52.4 p -122.6 1.16 9.46 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -174.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.254 1.325 0 C-N-CA 126.664 1.985 . . . . 0.0 111.906 174.546 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -35.69 70.13 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.736 -1.228 . . . . 0.0 112.351 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -57.72 -34.35 69.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.255 1.022 . . . . 0.0 113.726 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.18 78.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.15 0.886 . . . . 0.0 112.247 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -66.38 -43.03 87.04 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.529 0.731 . . . . 0.0 110.968 173.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -57.48 -51.17 70.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.657 1.583 . . . . 0.0 112.337 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.04 -27.23 65.47 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -68.46 -35.01 76.96 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.429 1.092 . . . . 0.0 111.825 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.72 2.25 4.42 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.157 1.837 . . . . 0.0 114.946 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.39 165.56 13.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.077 1.351 . . . . 0.0 112.232 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 95.1 mt -128.22 56.19 1.63 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.435 1.894 . . . . 0.0 110.502 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 42.9 tp -43.07 119.67 1.59 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.022 2.129 . . . . 0.0 112.893 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -68.43 159.79 30.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.25 1.42 . . . . 0.0 112.512 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.98 -26.98 72.46 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 123.903 0.764 . . . . 0.0 114.926 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -79.17 -31.88 44.05 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.573 1.187 . . . . 0.0 111.062 173.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.78 49.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.753 1.221 . . . . 0.0 112.532 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.4 tp -60.96 -44.44 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 121.687 -0.633 . . . . 0.0 110.831 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.49 -44.92 89.57 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.723 1.609 . . . . 0.0 111.52 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -56.65 -54.99 39.73 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.944 0.898 . . . . 0.0 111.809 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.27 3.1 pp -74.62 -23.03 58.64 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 21.2 m -65.32 -42.0 93.42 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.698 0.799 . . . . 0.0 110.32 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.75 -36.5 75.85 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.622 -0.674 . . . . 0.0 112.121 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.85 -12.63 61.03 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 94.7 mt -123.04 10.45 9.43 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.455 1.902 . . . . 0.0 112.558 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -59.76 -24.57 64.18 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.093 1.357 . . . . 0.0 113.666 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 72.6 p -104.65 -4.62 22.27 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.207 1.803 . . . . 0.0 114.352 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -73.82 142.56 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.281 1.032 . . . . 0.0 111.403 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 31.0 m -54.99 126.3 23.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.253 1.821 . . . . 0.0 112.269 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.02 -34.38 73.28 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -174.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.592 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.5 pt? -79.26 -6.84 57.57 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.562 1.145 . . . . 0.0 113.949 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -108.43 -5.09 16.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.819 1.648 . . . . 0.0 112.64 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 66.5 tp -52.94 -43.84 66.61 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.313 1.445 . . . . 0.0 111.35 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -67.33 -19.0 65.39 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -102.56 -34.19 9.2 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.835 1.254 . . . . 0.0 111.832 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -68.98 -50.01 52.76 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.34 0.656 . . . . 0.0 112.079 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.45 -26.78 68.69 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.537 1.135 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.84 -30.79 71.77 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.452 0.701 . . . . 0.0 111.75 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.61 -38.04 86.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.758 0.823 . . . . 0.0 111.447 175.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 52.3 mt -66.17 -51.08 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.518 0.727 . . . . 0.0 109.105 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.59 -45.96 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.807 0.731 . . . . 0.0 111.013 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.7 -25.51 68.2 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.196 -0.94 . . . . 0.0 113.495 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.07 -29.2 23.57 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.457 1.026 . . . . 0.0 112.391 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.25 -41.71 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.821 1.248 . . . . 0.0 109.635 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -65.33 -22.79 66.86 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.94 -16.08 57.44 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -82.95 126.81 71.76 Favored Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 124.601 1.16 . . . . 0.0 109.8 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.94 130.76 42.43 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.09 2.526 . . . . 0.0 112.776 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -155.26 169.25 24.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.242 1.417 . . . . 0.0 112.628 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 78.9 p -138.1 6.13 2.59 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.509 1.524 . . . . 0.0 113.83 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 17.6 t -151.91 164.1 37.83 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.434 1.893 . . . . 0.0 110.485 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -94.58 6.6 48.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.129 0.972 . . . . 0.0 113.485 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 43.1 mmm -78.83 126.59 30.91 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.475 -0.766 . . . . 0.0 109.87 173.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 39.7 mm -111.43 102.87 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.366 0.666 . . . . 0.0 109.92 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.61 169.53 17.53 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.888 1.275 . . . . 0.0 113.676 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -55.84 -45.47 78.4 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.602 0.761 . . . . 0.0 111.912 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 9.8 t -55.27 -32.66 62.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.99 -46.67 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.901 0.881 . . . . 0.0 112.321 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.96 -32.34 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-N 119.453 1.024 . . . . 0.0 112.832 175.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -63.14 -19.88 64.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.646 1.578 . . . . 0.0 112.875 174.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.59 -31.16 10.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.846 1.658 . . . . 0.0 113.149 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.57 76.04 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.934 -1.104 . . . . 0.0 113.55 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.89 -29.27 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.594 -0.692 . . . . 0.0 112.273 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -64.51 -20.4 66.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.269 1.027 . . . . 0.0 113.155 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -108.25 -7.37 15.98 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.368 1.467 . . . . 0.0 113.625 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 67.8 p -130.21 -0.98 4.57 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -173.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.892 2.077 . . . . 0.0 114.299 176.662 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -42.09 95.61 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.441 -0.787 . . . . 0.0 111.41 174.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.3 m -62.03 -36.63 82.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.379 1.071 . . . . 0.0 112.446 174.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.17 75.06 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.103 -0.998 . . . . 0.0 112.149 174.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -56.67 -44.88 81.83 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.066 0.848 . . . . 0.0 110.588 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -57.93 -43.56 86.35 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.888 1.675 . . . . 0.0 113.261 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.41 -33.72 76.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.109 0.964 . . . . 0.0 113.385 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.54 -12.06 59.97 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 176.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.78 -3.85 34.18 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 126.129 1.823 . . . . 0.0 114.386 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.65 174.81 8.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.467 1.507 . . . . 0.0 111.473 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 88.2 mt -135.92 155.18 50.67 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.667 1.987 . . . . 0.0 107.552 173.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 tp -126.12 124.13 39.85 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 tpt85 -54.14 -24.74 18.99 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -171.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.67 -19.9 37.91 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.478 1.037 . . . . 0.0 113.362 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -99.84 -31.02 11.71 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.709 1.204 . . . . 0.0 109.896 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.63 76.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.383 1.073 . . . . 0.0 113.073 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 tp -59.7 -41.48 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.604 0.762 . . . . 0.0 111.111 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -60.23 -45.11 94.35 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.547 1.539 . . . . 0.0 111.647 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -58.62 -53.16 61.5 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.61 0.764 . . . . 0.0 111.693 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.251 4.4 pp -73.1 -23.92 60.57 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 177.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 18.3 m -63.11 -40.56 98.0 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.391 -0.818 . . . . 0.0 110.369 172.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.24 -32.99 67.19 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.245 -0.91 . . . . 0.0 112.501 174.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.9 -20.71 55.9 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 80.8 mt -118.86 8.54 11.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.487 1.515 . . . . 0.0 113.423 -174.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -55.48 -20.81 13.86 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 47.7 m -112.35 -2.97 14.64 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.202 1.401 . . . . 0.0 113.555 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mm -76.46 136.66 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.942 0.897 . . . . 0.0 109.901 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 18.2 m -53.37 128.21 27.65 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.913 1.685 . . . . 0.0 113.124 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.86 -35.22 74.33 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.588 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.2 pt? -75.86 -2.63 31.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.341 1.456 . . . . 0.0 114.44 174.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -123.44 -2.33 8.49 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.725 2.01 . . . . 0.0 112.34 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.38 -47.08 86.8 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 125.172 1.389 . . . . 0.0 111.859 -174.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -67.37 -40.35 85.73 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.291 0.496 . . . . 0.0 112.14 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.12 -37.86 88.97 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.497 -0.752 . . . . 0.0 112.363 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -68.24 -54.38 18.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.173 0.989 . . . . 0.0 111.101 173.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.47 -30.31 68.44 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.25 1.42 . . . . 0.0 111.983 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.78 -30.38 70.0 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.428 -0.795 . . . . 0.0 112.065 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -66.32 -36.62 83.39 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.492 -0.755 . . . . 0.0 111.091 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.51 -52.25 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.025 0.93 . . . . 0.0 108.553 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 87.3 mt -56.03 -42.78 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.755 0.822 . . . . 0.0 111.228 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -66.31 -27.25 67.77 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.46 -32.12 32.71 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.099 0.96 . . . . 0.0 112.407 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.32 -40.02 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.531 1.132 . . . . 0.0 110.599 173.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.94 -22.56 60.21 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 174.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -81.79 -13.78 57.26 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -88.47 149.44 44.45 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 124.612 1.165 . . . . 0.0 111.036 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.19 131.57 16.77 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.411 2.074 . . . . 0.0 111.142 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 pp -156.51 168.17 28.18 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.468 1.507 . . . . 0.0 112.617 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.7 p -134.49 9.28 3.68 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.225 1.41 . . . . 0.0 113.923 -174.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -150.94 157.75 43.29 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.433 1.893 . . . . 0.0 110.216 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -78.15 -4.2 46.34 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.706 -0.621 . . . . 0.0 112.489 174.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 56.4 tpp -77.51 130.97 37.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.972 0.909 . . . . 0.0 111.336 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.8 mm -115.42 136.37 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 125.943 1.697 . . . . 0.0 109.559 -175.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -118.83 165.92 13.44 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.982 1.313 . . . . 0.0 113.184 -174.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -56.34 -41.06 75.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.969 0.908 . . . . 0.0 112.29 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -62.77 -27.91 69.61 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.54 -43.93 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.79 0.836 . . . . 0.0 110.903 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.64 -37.06 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.499 -0.751 . . . . 0.0 112.053 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -58.13 -24.64 59.53 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.024 1.329 . . . . 0.0 113.394 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.45 -34.58 10.96 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.201 1.4 . . . . 0.0 112.81 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.85 78.97 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.084 -1.01 . . . . 0.0 113.309 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.88 -31.07 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.404 -0.81 . . . . 0.0 112.609 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -69.3 -27.23 65.21 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.159 1.384 . . . . 0.0 112.472 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -92.33 -9.76 40.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.167 1.787 . . . . 0.0 112.839 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 61.2 p -126.64 5.98 6.8 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -173.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.995 1.718 . . . . 0.0 112.381 179.145 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -44.07 97.87 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.49 -0.756 . . . . 0.0 111.561 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 33.6 t -61.22 -39.91 92.02 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.185 0.994 . . . . 0.0 112.318 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.33 96.72 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.629 -0.669 . . . . 0.0 112.253 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -64.87 -44.64 89.04 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.248 -0.908 . . . . 0.0 110.625 173.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.6 -50.26 73.7 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.35 -24.25 65.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 72.4 mmt-85 -81.67 -11.58 59.02 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.321 1.449 . . . . 0.0 113.086 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.4 2.4 27.72 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.712 1.625 . . . . 0.0 115.673 173.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -99.81 168.7 9.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.199 1.399 . . . . 0.0 112.742 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.83 82.56 2.08 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.501 1.92 . . . . 0.0 109.61 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.82 121.63 14.48 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.681 1.192 . . . . 0.0 111.389 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -62.65 159.46 16.05 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.899 1.28 . . . . 0.0 113.308 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.8 -26.01 72.01 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.302 0.953 . . . . 0.0 114.749 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.0 -31.55 56.56 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.164 -1.198 . . . . 0.0 110.761 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.82 -41.75 22.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.266 1.426 . . . . 0.0 113.193 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.2 tp -55.33 -43.99 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.605 0.762 . . . . 0.0 110.984 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -60.93 -43.48 98.58 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.46 1.504 . . . . 0.0 112.109 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -61.21 -54.39 44.88 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.104 0.561 . . . . 0.0 112.163 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.31 2.7 pp -71.62 -23.68 61.75 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 17.3 m -64.23 -42.87 96.35 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.225 -0.922 . . . . 0.0 110.417 173.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.49 -35.87 70.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.402 0.681 . . . . 0.0 112.614 174.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -15.95 63.59 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.2 mt -121.99 10.67 10.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.008 1.723 . . . . 0.0 112.912 -174.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -61.57 -14.33 29.12 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 40.0 m -118.77 1.43 11.58 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.223 1.409 . . . . 0.0 113.723 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mm -74.02 145.64 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.03 0.932 . . . . 0.0 110.409 174.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.61 143.94 57.42 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.347 1.059 . . . . 0.0 113.716 -174.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.8 -30.41 65.66 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -174.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.595 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.7 pt? -100.94 -8.24 22.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.642 1.177 . . . . 0.0 113.514 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -101.67 -10.1 20.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.058 1.343 . . . . 0.0 112.524 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.6 tp -56.34 -42.66 78.07 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.356 1.463 . . . . 0.0 112.097 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -68.1 -47.56 67.88 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.54 -33.75 76.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.663 0.785 . . . . 0.0 112.18 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -67.87 -56.19 10.06 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.825 1.25 . . . . 0.0 111.185 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -28.78 69.6 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.119 0.968 . . . . 0.0 112.476 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.26 -28.18 69.53 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.472 -0.767 . . . . 0.0 112.404 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -71.65 -32.74 68.25 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.333 -0.854 . . . . 0.0 111.486 174.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 39.6 mt -65.99 -50.63 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.31 -44.24 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.598 0.759 . . . . 0.0 111.106 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -64.04 -22.98 67.16 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.15 -33.46 18.2 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.687 1.131 . . . . 0.0 111.739 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.55 -41.14 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.717 1.207 . . . . 0.0 110.238 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.88 -6.53 6.1 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.748 1.619 . . . . 0.0 115.249 174.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -111.24 -2.78 15.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.781 1.632 . . . . 0.0 113.776 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -89.04 154.03 49.43 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.45 1.1 . . . . 0.0 110.866 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.45 123.24 8.52 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.675 2.25 . . . . 0.0 111.262 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 pp -155.28 169.59 23.84 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.789 1.636 . . . . 0.0 112.255 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 19.8 m -135.62 15.19 3.4 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.096 1.358 . . . . 0.0 112.975 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -151.08 156.37 40.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.212 1.805 . . . . 0.0 110.501 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -83.4 -2.71 56.45 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.425 0.69 . . . . 0.0 112.371 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 15.8 ttm -78.52 128.94 34.27 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.832 0.853 . . . . 0.0 110.793 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 35.7 mm -115.33 108.56 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.512 1.125 . . . . 0.0 110.922 -173.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.64 166.52 21.0 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.024 0.93 . . . . 0.0 113.331 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -54.24 -44.61 71.89 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.655 1.182 . . . . 0.0 111.971 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -59.95 -29.68 68.57 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.387 1.075 . . . . 0.0 113.114 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.06 -44.03 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.396 1.079 . . . . 0.0 110.688 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -63.61 -40.6 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.579 0.752 . . . . 0.0 111.923 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -58.76 -15.65 13.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.5 1.52 . . . . 0.0 113.985 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -104.63 -35.63 7.75 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.833 1.653 . . . . 0.0 111.712 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.78 84.27 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.16 -0.963 . . . . 0.0 113.37 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.84 -31.68 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.133 0.973 . . . . 0.0 112.553 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -69.67 -28.08 65.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.9 1.28 . . . . 0.0 112.847 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -92.9 -8.75 42.44 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.304 1.442 . . . . 0.0 112.777 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 59.2 p -125.76 5.73 7.42 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.339 1.856 . . . . 0.0 112.724 177.313 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -44.77 95.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.934 0.894 . . . . 0.0 112.34 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 24.6 m -65.81 -32.51 74.08 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.443 -0.786 . . . . 0.0 112.695 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.99 95.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.313 0.645 . . . . 0.0 112.074 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.3 -45.0 86.13 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.689 -0.632 . . . . 0.0 110.237 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.82 -48.65 80.84 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.88 -25.46 66.41 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.032 0.833 . . . . 0.0 113.125 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -80.59 -10.79 59.72 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.973 1.309 . . . . 0.0 113.048 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.71 1.3 30.63 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.827 1.68 . . . . 0.0 115.424 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.53 168.98 10.36 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.932 1.293 . . . . 0.0 112.572 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.7 mt -128.8 89.0 2.81 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.23 1.812 . . . . 0.0 109.649 175.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.71 116.52 6.35 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.646 1.178 . . . . 0.0 111.001 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -61.25 159.24 12.55 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.533 1.533 . . . . 0.0 113.463 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.59 -29.79 76.13 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 123.586 0.612 . . . . 0.0 113.7 174.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.6 -21.44 60.33 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.216 1.008 . . . . 0.0 112.557 173.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.13 -39.74 11.42 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.747 1.219 . . . . 0.0 112.566 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 8.9 tp -59.53 -39.2 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.293 -0.879 . . . . 0.0 111.633 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -70.53 -10.61 59.66 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -88.91 -57.47 2.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.776 0.83 . . . . 0.0 110.601 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.266 1.7 pp -73.07 -16.15 61.49 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -175.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 13.7 t -58.97 -33.34 70.55 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.386 1.074 . . . . 0.0 113.09 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -99.84 -17.34 17.69 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.834 1.254 . . . . 0.0 113.373 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.19 -17.28 60.41 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.152 -0.967 . . . . 0.0 112.785 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 79.1 mt -123.94 8.9 8.72 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.548 1.939 . . . . 0.0 112.677 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -61.98 -25.67 67.76 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.045 -1.035 . . . . 0.0 113.444 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -88.16 1.78 53.6 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.813 1.645 . . . . 0.0 113.738 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -103.32 142.09 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.465 1.506 . . . . 0.0 111.052 -176.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 35.7 m -53.06 132.5 38.04 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 127.207 2.203 . . . . 0.0 113.232 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.35 -29.91 61.97 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.96 -9.26 26.46 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.187 1.395 . . . . 0.0 113.703 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.96 -9.15 20.92 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.337 1.455 . . . . 0.0 111.457 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.46 -39.52 80.16 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.578 1.951 . . . . 0.0 112.166 -176.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.44 -43.52 80.93 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.55 -35.22 77.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.717 0.807 . . . . 0.0 112.456 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -67.55 -53.83 25.06 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.024 1.33 . . . . 0.0 111.702 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.99 -20.12 65.67 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.581 1.152 . . . . 0.0 112.944 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.03 -32.94 70.19 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.584 0.753 . . . . 0.0 110.678 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.42 -31.49 67.29 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.11 0.964 . . . . 0.0 111.614 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 57.0 mt -67.69 -50.61 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.143 0.977 . . . . 0.0 108.444 174.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 89.8 mt -58.71 -41.58 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.398 -0.814 . . . . 0.0 111.135 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.42 -22.96 66.83 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.046 -1.034 . . . . 0.0 113.595 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.75 -31.49 20.91 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.277 1.031 . . . . 0.0 112.625 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.79 -39.7 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.735 1.214 . . . . 0.0 110.346 173.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -61.63 -17.97 57.51 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 175.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -87.05 -9.71 54.8 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -95.79 151.28 38.31 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.593 1.157 . . . . 0.0 111.453 -175.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.54 128.96 13.17 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.633 2.222 . . . . 0.0 111.391 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 pp -157.16 168.0 28.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.783 1.633 . . . . 0.0 111.59 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 23.3 m -130.7 4.67 4.61 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.506 1.122 . . . . 0.0 113.589 -174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 86.0 p -151.65 171.22 17.99 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.531 1.533 . . . . 0.0 111.263 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -82.67 0.9 41.12 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 21.5 ttm -83.31 129.41 35.0 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.151 -0.968 . . . . 0.0 111.032 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.52 109.34 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.735 1.214 . . . . 0.0 110.947 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -82.17 168.72 17.4 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.895 1.278 . . . . 0.0 113.763 175.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -52.42 -49.65 64.09 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.364 1.065 . . . . 0.0 111.625 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -57.76 -30.37 65.57 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.346 1.058 . . . . 0.0 112.818 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.2 -45.34 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.739 1.216 . . . . 0.0 111.068 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.36 -39.63 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.895 0.878 . . . . 0.0 112.227 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -60.0 -20.57 58.46 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.168 1.787 . . . . 0.0 113.262 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.65 -34.8 8.93 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.129 1.772 . . . . 0.0 112.799 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.01 79.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.49 1.116 . . . . 0.0 113.206 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.52 -32.68 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.18 -0.95 . . . . 0.0 112.63 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -64.2 -28.07 69.49 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.406 1.482 . . . . 0.0 112.625 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -84.06 -35.71 23.58 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.839 1.656 . . . . 0.0 111.209 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 23.7 p -68.55 -19.59 64.5 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.957 1.703 . . . . 0.0 112.211 -173.151 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -38.44 71.99 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.619 1.168 . . . . 0.0 112.49 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -56.07 -34.58 66.09 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.01 -44.57 65.62 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.059 -1.026 . . . . 0.0 112.451 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -59.95 -43.59 94.93 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.641 -0.662 . . . . 0.0 110.526 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -58.13 -44.66 87.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.194 1.798 . . . . 0.0 112.876 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 44.9 mt -61.76 -37.24 83.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.947 0.899 . . . . 0.0 113.152 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -76.74 -12.88 60.05 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.53 10.17 36.41 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.306 1.431 . . . . 0.0 114.932 174.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -87.08 161.56 18.07 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.673 1.189 . . . . 0.0 112.489 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -126.99 57.23 1.47 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.055 2.142 . . . . 0.0 109.646 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 48.6 tp -48.94 117.62 2.18 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.5 1.92 . . . . 0.0 112.496 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -59.41 156.53 12.78 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.394 1.878 . . . . 0.0 112.88 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.77 -43.37 96.51 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 123.872 0.749 . . . . 0.0 113.844 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.33 -26.34 66.5 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.88 1.272 . . . . 0.0 113.865 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.71 -38.9 11.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.118 1.367 . . . . 0.0 112.103 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -43.82 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.43 0.692 . . . . 0.0 109.9 176.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -65.74 -35.01 79.51 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.893 0.77 . . . . 0.0 112.635 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.97 -53.91 53.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.714 0.806 . . . . 0.0 111.296 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.256 3.1 pp -75.48 -24.24 56.9 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 44.5 m -63.85 -41.98 97.69 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.848 0.749 . . . . 0.0 111.128 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.47 -38.53 65.41 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.361 0.665 . . . . 0.0 112.512 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.03 -18.96 65.69 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -121.67 13.31 10.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.299 1.84 . . . . 0.0 112.045 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -61.78 -20.77 63.94 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.705 1.202 . . . . 0.0 113.684 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.2 p -105.34 -5.62 20.32 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.806 1.642 . . . . 0.0 114.492 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 2.4 mm -72.8 141.71 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.354 1.062 . . . . 0.0 110.669 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -61.32 132.87 54.95 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.21 1.404 . . . . 0.0 112.3 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.5 -34.06 68.69 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -173.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.589 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -86.28 -14.63 43.15 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.306 1.043 . . . . 0.0 113.345 178.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -95.52 -18.3 20.75 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.205 1.402 . . . . 0.0 111.915 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.5 tp -56.4 -39.8 73.59 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 126.571 1.948 . . . . 0.0 111.825 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.39 -43.65 93.79 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.49 -37.6 68.4 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.87 0.868 . . . . 0.0 112.624 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -62.41 -57.17 12.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.652 1.181 . . . . 0.0 111.416 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tt -68.71 -20.96 64.43 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.491 1.116 . . . . 0.0 112.937 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -60.55 -30.63 69.89 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.287 -0.883 . . . . 0.0 110.649 173.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.85 -36.18 79.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.544 0.737 . . . . 0.0 111.335 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.95 -47.88 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.125 0.97 . . . . 0.0 109.287 174.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 90.3 mt -58.31 -44.49 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.926 0.785 . . . . 0.0 110.925 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -66.6 -20.62 66.05 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 120.776 -1.202 . . . . 0.0 113.6 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.4 -18.27 28.71 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.059 1.344 . . . . 0.0 112.895 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.69 -40.58 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.344 1.458 . . . . 0.0 108.615 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.24 -28.77 69.96 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -78.42 -12.71 60.02 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -85.4 151.27 56.0 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 124.418 1.087 . . . . 0.0 110.74 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.27 122.69 8.57 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.389 2.06 . . . . 0.0 111.38 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -152.58 169.6 22.27 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.789 1.636 . . . . 0.0 111.878 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 81.8 p -138.08 7.85 2.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.01 1.324 . . . . 0.0 113.821 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 54.7 m -157.03 160.41 38.94 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.849 1.66 . . . . 0.0 111.47 175.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -84.19 3.28 35.86 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.902 1.281 . . . . 0.0 113.92 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 9.5 ttm -89.3 81.72 6.62 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.718 1.207 . . . . 0.0 111.416 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 31.4 mm -65.71 139.78 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.466 1.106 . . . . 0.0 111.017 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.15 165.43 14.78 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.374 1.47 . . . . 0.0 112.873 -174.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -54.19 -47.72 71.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.499 0.72 . . . . 0.0 111.01 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 8.1 m -59.66 -25.61 64.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.026 0.93 . . . . 0.0 113.322 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 97.7 t -81.46 -43.76 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.671 1.189 . . . . 0.0 111.38 174.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.34 -38.89 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 121.318 -0.864 . . . . 0.0 112.55 176.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -60.88 -18.95 59.26 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.253 1.821 . . . . 0.0 113.201 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.17 -31.03 10.78 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.148 1.779 . . . . 0.0 112.009 173.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.8 -38.25 88.48 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.959 -1.088 . . . . 0.0 113.094 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.81 -29.97 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.823 0.849 . . . . 0.0 112.672 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -71.84 -20.56 61.8 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.191 1.397 . . . . 0.0 112.899 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -99.91 -8.94 23.39 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.295 1.838 . . . . 0.0 112.866 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 61.6 p -128.45 7.68 5.86 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -173.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.158 1.783 . . . . 0.0 112.459 176.06 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.88 -39.67 94.74 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.406 -0.809 . . . . 0.0 111.184 174.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -61.53 -35.8 78.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.813 0.845 . . . . 0.0 112.558 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -46.06 81.97 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.017 -1.052 . . . . 0.0 112.513 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -60.77 -43.91 97.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.037 0.935 . . . . 0.0 110.915 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -58.24 -44.8 88.43 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.382 1.873 . . . . 0.0 113.02 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.4 -32.87 72.82 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.132 0.973 . . . . 0.0 113.032 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.41 -9.39 59.47 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 174.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.87 5.26 41.62 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.68 1.609 . . . . 0.0 115.452 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.52 164.73 15.29 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.516 1.158 . . . . 0.0 113.158 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.78 77.82 1.78 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.541 2.336 . . . . 0.0 109.264 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.04 125.62 24.62 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.344 1.058 . . . . 0.0 112.004 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -65.89 159.64 25.08 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.654 1.182 . . . . 0.0 112.955 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.5 -24.94 73.89 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.234 0.921 . . . . 0.0 114.996 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -81.13 -31.59 34.14 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.765 1.282 . . . . 0.0 110.774 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.31 -40.64 58.29 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.585 1.154 . . . . 0.0 112.159 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.63 -44.43 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 121.922 -0.486 . . . . 0.0 110.538 173.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -60.54 -40.62 92.19 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.506 1.522 . . . . 0.0 112.17 176.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -60.2 -54.17 49.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.592 0.757 . . . . 0.0 111.979 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.56 -21.88 57.49 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 16.3 m -58.72 -36.77 74.82 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.342 1.057 . . . . 0.0 111.352 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.25 -28.44 59.84 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.03 -38.51 61.46 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.991 0.916 . . . . 0.0 112.528 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.76 -7.09 59.28 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.996 1.318 . . . . 0.0 113.308 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -57.07 -28.59 62.72 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.3 p -109.34 -1.49 18.46 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.569 1.547 . . . . 0.0 113.807 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mm -77.67 143.5 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.559 1.144 . . . . 0.0 111.415 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m -54.68 128.28 31.89 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.256 1.822 . . . . 0.0 112.378 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.55 -34.3 73.94 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -175.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.573 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.4 pt? -78.74 -3.92 46.68 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -116.02 -1.66 12.45 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.211 1.804 . . . . 0.0 112.424 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 tp -53.95 -46.64 71.63 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.651 1.58 . . . . 0.0 111.715 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.04 -43.66 91.61 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.248 0.619 . . . . 0.0 112.568 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.42 -35.23 70.91 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -69.16 -51.71 35.46 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.317 1.047 . . . . 0.0 112.457 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . 0.416 HD12 HD12 ' M' ' 72' ' ' ILE . 40.8 tp -62.8 -24.71 67.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.239 1.016 . . . . 0.0 112.453 -179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.9 -35.66 77.22 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.736 0.815 . . . . 0.0 111.325 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -68.62 -31.86 71.32 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.045 0.938 . . . . 0.0 111.46 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . 0.416 HD12 HD12 ' M' ' 69' ' ' LEU . 62.7 mt -70.81 -52.78 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 173.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 78.6 mt -57.93 -41.9 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.383 0.673 . . . . 0.0 111.457 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.68 -25.91 67.69 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 174.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.18 -21.32 22.24 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.66 1.184 . . . . 0.0 113.011 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -75.13 -41.32 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.41 1.084 . . . . 0.0 108.904 171.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.21 -13.12 57.52 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.867 1.667 . . . . 0.0 115.099 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -108.05 0.18 21.59 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -85.42 145.39 42.25 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.233 1.013 . . . . 0.0 111.102 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.12 104.36 1.83 Allowed 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.278 2.652 . . . . 0.0 111.931 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 pp -139.31 -2.94 1.58 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 6.7 t 49.42 15.64 0.14 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.054 2.142 . . . . 0.0 116.559 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -144.23 -170.24 3.31 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.74 1.616 . . . . 0.0 111.715 -174.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -122.96 -2.64 8.69 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.604 1.562 . . . . 0.0 112.424 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 19.4 ttm -83.2 127.36 33.56 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.194 -0.942 . . . . 0.0 109.391 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 34.8 mm -113.35 108.49 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.13 0.972 . . . . 0.0 111.686 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.73 165.23 23.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.825 1.25 . . . . 0.0 113.369 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -56.78 -43.42 80.84 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.326 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t -56.54 -35.45 68.11 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.838 0.744 . . . . 0.0 112.798 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.59 -43.42 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.216 1.006 . . . . 0.0 111.576 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 48.3 t -69.76 -38.68 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.19 0.996 . . . . 0.0 112.308 176.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -59.24 -22.43 61.09 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.9 1.68 . . . . 0.0 112.991 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.03 -32.69 10.49 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.862 1.665 . . . . 0.0 112.452 173.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.8 86.14 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.019 -1.051 . . . . 0.0 113.505 175.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.23 -30.3 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.538 0.735 . . . . 0.0 112.647 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -64.13 -22.97 67.15 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.777 1.631 . . . . 0.0 113.037 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -90.05 -31.25 17.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.88 1.272 . . . . 0.0 111.46 175.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 25.0 p -74.16 -18.62 60.76 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.66 1.584 . . . . 0.0 112.815 -172.883 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -40.64 89.76 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.602 -0.686 . . . . 0.0 111.55 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.2 m -62.41 -32.64 73.5 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.876 0.871 . . . . 0.0 113.229 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.18 77.96 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.536 -0.727 . . . . 0.0 112.316 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.55 -42.69 86.75 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.261 0.624 . . . . 0.0 110.992 173.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -55.02 -50.68 68.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.357 1.863 . . . . 0.0 113.188 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.74 -24.86 64.51 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -69.45 -27.03 64.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.836 1.255 . . . . 0.0 112.905 173.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.91 -3.82 19.12 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 126.289 1.9 . . . . 0.0 114.079 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.06 164.42 14.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.377 1.471 . . . . 0.0 112.377 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.8 mt -129.96 81.65 2.02 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.478 1.911 . . . . 0.0 109.666 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 tp -62.11 120.04 10.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.929 1.692 . . . . 0.0 111.295 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -72.49 165.24 25.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.372 1.069 . . . . 0.0 112.816 -176.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.95 -24.62 73.1 Favored Glycine 0 CA--C 1.539 1.58 0 N-CA-C 115.647 1.019 . . . . 0.0 115.647 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -85.85 -30.35 23.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.987 1.394 . . . . 0.0 110.182 172.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.15 72.5 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.346 1.058 . . . . 0.0 112.116 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 tp -57.81 -45.99 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.753 0.821 . . . . 0.0 110.875 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -60.94 -43.56 98.5 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.104 1.362 . . . . 0.0 112.224 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -58.11 -53.09 62.2 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.849 0.86 . . . . 0.0 111.661 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.281 4.3 pp -73.7 -26.5 60.74 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.7 m -62.67 -40.48 97.21 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.269 0.94 . . . . 0.0 110.683 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -72.17 -33.98 68.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.527 0.731 . . . . 0.0 112.512 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.3 -29.23 67.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.92 11.44 33.58 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.48 1.912 . . . . 0.0 112.469 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -57.86 -18.96 25.69 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -174.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -123.04 7.12 9.23 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.3 1.44 . . . . 0.0 113.353 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -70.42 142.66 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.913 0.885 . . . . 0.0 110.664 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 37.3 m -52.88 132.71 37.48 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.363 1.865 . . . . 0.0 113.076 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.57 -29.16 64.2 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.25 3.23 51.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.395 1.478 . . . . 0.0 113.462 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -120.12 1.0 10.82 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.149 1.779 . . . . 0.0 112.303 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 67.7 tp -56.62 -44.59 81.35 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.136 1.374 . . . . 0.0 111.523 -177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.03 -44.37 76.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.94 0.496 . . . . 0.0 112.093 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.88 -34.2 77.59 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.869 0.868 . . . . 0.0 112.744 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -69.65 -54.14 15.33 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.762 1.225 . . . . 0.0 111.857 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.87 -26.08 67.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.948 1.299 . . . . 0.0 112.847 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -58.94 -34.72 72.07 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.279 1.032 . . . . 0.0 111.15 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.91 -32.35 69.26 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.696 0.798 . . . . 0.0 111.558 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.65 -52.45 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.185 0.994 . . . . 0.0 108.583 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 81.1 mt -56.85 -45.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.851 0.75 . . . . 0.0 111.359 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -63.3 -28.03 69.74 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.83 -33.27 46.21 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.276 0.944 . . . . 0.0 111.37 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 74.2 t -66.4 -41.3 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.404 1.081 . . . . 0.0 110.505 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.21 -21.87 62.3 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -91.96 -12.42 33.41 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.831 1.252 . . . . 0.0 114.269 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.37 150.38 82.51 Favored Pre-proline 0 N--CA 1.473 0.719 0 CA-C-N 119.236 0.925 . . . . 0.0 110.8 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -87.94 27.45 0.54 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.627 2.885 . . . . 0.0 115.359 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 pp -48.16 -20.1 0.33 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 128.538 2.735 . . . . 0.0 116.703 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 20.6 m 52.18 16.63 0.59 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.683 1.993 . . . . 0.0 116.27 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 13.9 t -142.32 -163.49 1.61 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.736 2.014 . . . . 0.0 110.455 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -128.69 4.29 5.51 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.469 1.108 . . . . 0.0 112.834 173.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 64.1 mmm -84.65 125.7 32.71 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.102 0.961 . . . . 0.0 109.665 174.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 29.5 mm -113.76 91.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.977 0.911 . . . . 0.0 109.472 -174.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -73.67 168.01 20.21 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.09 0.956 . . . . 0.0 113.061 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -49.75 -49.06 49.66 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.911 0.885 . . . . 0.0 111.626 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -57.6 -30.1 65.04 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.361 1.065 . . . . 0.0 113.113 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.5 t -74.52 -43.85 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.72 1.208 . . . . 0.0 111.218 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.06 -37.78 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.097 0.959 . . . . 0.0 111.974 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -60.38 -19.85 57.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.181 1.792 . . . . 0.0 112.998 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.63 -27.6 12.98 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.358 1.863 . . . . 0.0 112.448 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.79 -36.37 67.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.267 1.027 . . . . 0.0 113.359 174.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.55 -25.77 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.243 1.017 . . . . 0.0 113.303 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -64.8 -13.39 55.37 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.498 1.519 . . . . 0.0 113.145 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -112.6 -23.79 10.04 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.307 1.443 . . . . 0.0 113.054 174.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 28.8 p -80.51 -15.52 56.51 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.546 1.538 . . . . 0.0 113.048 -172.617 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.64 -43.62 96.27 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.737 0.815 . . . . 0.0 111.808 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 90.5 p -60.81 -35.68 77.1 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.7 96.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.936 0.789 . . . . 0.0 112.958 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -65.63 -44.58 86.03 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.2 0.6 . . . . 0.0 110.803 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.26 -37.11 84.18 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.71 -34.48 75.87 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.262 1.025 . . . . 0.0 112.278 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -82.97 -8.46 59.56 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.597 1.159 . . . . 0.0 113.399 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.91 1.55 48.91 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.999 1.762 . . . . 0.0 114.935 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.54 164.79 17.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.675 1.238 . . . . 0.0 112.875 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -129.02 85.25 2.3 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.787 2.035 . . . . 0.0 109.735 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 25.9 tp -64.47 123.55 19.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.828 1.251 . . . . 0.0 111.502 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -64.55 160.66 19.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.842 1.257 . . . . 0.0 113.17 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.75 -24.06 72.63 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.205 0.907 . . . . 0.0 114.809 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -82.35 -30.65 30.24 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.499 1.15 . . . . 0.0 110.796 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.53 -42.21 53.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.84 1.256 . . . . 0.0 112.526 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.5 tp -58.47 -44.01 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.603 0.761 . . . . 0.0 110.69 174.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.21 -42.89 99.38 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.16 1.384 . . . . 0.0 112.089 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.48 -53.87 53.14 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.321 0.648 . . . . 0.0 111.856 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.286 3.6 pp -72.87 -23.01 60.68 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 18.4 m -62.89 -40.5 97.74 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.209 -0.932 . . . . 0.0 110.422 173.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -74.13 -34.7 63.96 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.529 0.732 . . . . 0.0 112.222 174.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.55 -16.48 63.43 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 79.5 mt -121.86 12.62 10.56 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.616 1.967 . . . . 0.0 112.195 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -58.54 -17.66 23.3 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.8 p -126.84 4.23 6.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.914 1.686 . . . . 0.0 113.963 -177.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 mm -68.38 142.32 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.927 0.891 . . . . 0.0 111.158 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 28.7 m -54.85 127.33 28.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.876 1.671 . . . . 0.0 112.346 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -57.89 -36.72 72.79 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -174.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.614 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -80.67 -5.72 57.38 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.737 1.215 . . . . 0.0 114.046 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -111.65 -4.91 14.57 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.258 1.823 . . . . 0.0 112.672 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.29 -42.7 82.23 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.42 1.488 . . . . 0.0 111.978 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.71 -50.44 62.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.467 0.307 . . . . 0.0 111.652 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.95 -33.37 74.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.668 0.787 . . . . 0.0 112.536 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -69.67 -57.93 4.54 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.684 1.194 . . . . 0.0 111.491 174.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.81 -23.8 67.5 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.101 0.96 . . . . 0.0 112.542 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.2 -29.33 70.3 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.245 -0.909 . . . . 0.0 112.089 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -70.07 -34.8 73.63 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.378 -0.826 . . . . 0.0 111.209 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mt -63.78 -52.02 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 98.1 mt -54.94 -47.59 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.671 0.788 . . . . 0.0 110.963 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -61.56 -26.09 67.73 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.18 -24.96 25.93 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.059 0.845 . . . . 0.0 112.368 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.98 -38.93 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.886 1.274 . . . . 0.0 110.083 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.2 -15.39 33.74 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -114.94 3.27 14.49 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -176.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -82.69 157.09 67.56 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 124.26 1.024 . . . . 0.0 111.015 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.36 115.83 4.48 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.399 2.066 . . . . 0.0 111.579 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.6 169.07 24.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.056 1.742 . . . . 0.0 111.439 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 3.2 t -133.42 10.19 4.06 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.826 1.25 . . . . 0.0 113.186 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -150.73 170.78 18.41 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.569 1.548 . . . . 0.0 111.144 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -85.87 0.95 51.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.23 1.012 . . . . 0.0 113.352 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.1 ttm -84.31 127.58 34.06 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.151 -0.968 . . . . 0.0 111.174 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.8 mm -112.83 104.83 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.495 1.118 . . . . 0.0 110.772 -173.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.63 167.97 20.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.013 0.925 . . . . 0.0 113.362 174.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -53.77 -47.5 70.67 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.753 0.821 . . . . 0.0 111.626 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -57.92 -31.71 67.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.222 1.009 . . . . 0.0 113.037 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.8 t -71.35 -43.55 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.866 1.266 . . . . 0.0 111.317 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 51.9 t -67.42 -38.97 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 O-C-N 121.125 -0.985 . . . . 0.0 111.598 174.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -60.42 -19.97 58.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.278 1.831 . . . . 0.0 112.866 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.61 -32.99 10.81 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.225 1.81 . . . . 0.0 112.326 173.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.31 84.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.474 1.11 . . . . 0.0 113.64 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.65 -27.81 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.045 0.938 . . . . 0.0 112.826 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -68.32 -19.74 64.69 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.385 1.474 . . . . 0.0 113.291 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -112.43 -7.8 13.92 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.214 1.406 . . . . 0.0 113.234 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 59.1 p -119.87 2.64 11.06 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.663 1.985 . . . . 0.0 112.177 174.735 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.15 -39.16 82.71 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.796 -0.565 . . . . 0.0 111.336 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 44.9 m -58.36 -41.27 84.33 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.72 0.808 . . . . 0.0 113.084 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.05 99.64 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.442 -0.786 . . . . 0.0 112.496 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.17 -37.54 78.23 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.815 0.846 . . . . 0.0 112.208 174.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -62.29 -39.46 93.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.624 1.57 . . . . 0.0 112.916 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 68.6 mt -60.37 -28.65 68.37 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.269 1.028 . . . . 0.0 112.935 174.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.93 -8.46 49.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.232 1.413 . . . . 0.0 113.431 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.06 7.3 58.6 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.604 1.573 . . . . 0.0 115.468 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.17 165.83 21.19 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.951 1.375 . . . . 0.0 112.878 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 90.2 mt -126.4 76.94 1.66 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.316 2.246 . . . . 0.0 109.571 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.63 117.12 4.94 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.691 1.196 . . . . 0.0 110.267 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -62.59 161.3 12.35 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.994 0.918 . . . . 0.0 113.136 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -36.34 92.73 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 123.99 0.805 . . . . 0.0 113.437 174.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.96 -31.08 68.62 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.215 -1.168 . . . . 0.0 111.755 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.64 -44.06 29.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.741 1.216 . . . . 0.0 112.812 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -41.93 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.911 0.778 . . . . 0.0 109.678 174.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -59.36 -34.52 72.49 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.671 1.188 . . . . 0.0 112.621 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.92 -53.14 22.62 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.903 -0.498 . . . . 0.0 112.027 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.257 3.8 pp -76.2 -21.95 55.85 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -31.23 72.34 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.999 1.272 . . . . 0.0 111.382 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -80.16 -32.74 38.8 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.245 1.018 . . . . 0.0 112.17 174.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.72 -15.09 63.09 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.906 0.883 . . . . 0.0 112.906 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 80.4 mt -120.84 12.76 11.36 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.133 2.173 . . . . 0.0 112.378 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -57.33 -30.19 64.59 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.282 1.433 . . . . 0.0 113.992 -174.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.6 p -116.07 1.9 13.32 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.648 1.579 . . . . 0.0 113.835 -175.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.5 139.51 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.084 0.954 . . . . 0.0 111.252 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 21.4 m -54.35 127.29 26.66 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.014 1.725 . . . . 0.0 112.568 175.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.46 -35.8 72.71 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.59 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -79.52 -6.34 56.79 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.856 1.262 . . . . 0.0 114.144 175.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -112.93 0.02 14.97 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.615 1.966 . . . . 0.0 112.464 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.25 -47.39 78.61 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.07 1.348 . . . . 0.0 111.432 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.16 -40.87 74.48 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.662 0.385 . . . . 0.0 111.863 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.21 -34.45 77.69 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.789 0.836 . . . . 0.0 112.93 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -73.65 -52.08 14.56 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.903 1.281 . . . . 0.0 111.362 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.42 -25.09 64.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.114 1.366 . . . . 0.0 113.236 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -55.28 -36.83 66.56 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.795 1.238 . . . . 0.0 111.792 174.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -67.1 -40.68 86.94 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.173 0.989 . . . . 0.0 111.45 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.57 -49.97 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.115 0.966 . . . . 0.0 109.481 176.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 80.4 mt -56.35 -46.37 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.288 0.635 . . . . 0.0 110.816 177.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -67.97 -8.59 38.43 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.33 -32.14 9.7 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.083 1.353 . . . . 0.0 111.764 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.79 -42.71 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.861 1.265 . . . . 0.0 109.978 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.33 -16.41 60.29 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -93.64 -10.88 33.04 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -80.57 148.59 66.3 Favored Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 124.3 1.04 . . . . 0.0 110.612 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.81 124.82 9.0 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.174 1.916 . . . . 0.0 111.227 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.25 167.47 30.28 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.316 1.446 . . . . 0.0 112.189 177.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 45.2 m -131.6 16.86 4.84 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.591 1.557 . . . . 0.0 112.623 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -150.17 158.2 43.91 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.549 1.94 . . . . 0.0 110.453 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -84.5 -2.2 56.92 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.835 0.854 . . . . 0.0 112.366 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 32.8 ttm -78.89 130.18 35.35 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 120.967 -1.083 . . . . 0.0 112.05 176.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.42 100.16 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.001 1.32 . . . . 0.0 108.709 -174.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.52 167.52 21.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.716 0.806 . . . . 0.0 112.976 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -52.92 -45.75 67.76 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.222 1.009 . . . . 0.0 111.841 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -60.16 -29.39 68.64 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.03 0.932 . . . . 0.0 113.373 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.34 -44.18 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.287 1.035 . . . . 0.0 110.659 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.85 -38.69 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.388 -0.82 . . . . 0.0 111.874 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.29 -16.28 32.98 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.959 1.303 . . . . 0.0 113.611 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.4 -28.71 12.44 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.398 1.479 . . . . 0.0 111.987 174.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.01 -37.24 69.82 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.514 1.126 . . . . 0.0 112.951 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.6 -26.8 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.549 1.14 . . . . 0.0 112.943 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -67.21 -18.59 65.31 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.728 1.611 . . . . 0.0 113.623 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -117.15 -5.75 11.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.376 1.47 . . . . 0.0 113.382 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 67.2 p -124.91 0.25 7.97 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -174.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.154 1.382 . . . . 0.0 113.764 176.84 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.38 -37.51 78.11 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.07 -1.019 . . . . 0.0 111.614 174.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -60.04 -39.78 87.09 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.106 0.963 . . . . 0.0 112.991 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.46 98.1 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.768 -1.208 . . . . 0.0 112.004 175.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -61.28 -44.51 97.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.683 0.793 . . . . 0.0 110.958 173.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -59.65 -43.18 94.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.212 1.405 . . . . 0.0 112.689 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.6 -32.15 73.1 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.557 1.143 . . . . 0.0 113.051 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -82.14 -8.64 59.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.997 0.919 . . . . 0.0 113.415 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.21 4.71 38.12 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.777 1.656 . . . . 0.0 115.156 174.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.04 165.43 14.03 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.837 1.318 . . . . 0.0 113.036 -174.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.45 73.02 1.29 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.189 2.196 . . . . 0.0 109.411 175.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 38.9 tp -58.79 121.33 10.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.87 1.268 . . . . 0.0 111.333 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -62.11 158.35 16.95 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.729 1.212 . . . . 0.0 113.045 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.66 -25.59 71.7 Favored Glycine 0 CA--C 1.541 1.716 0 C-N-CA 124.119 0.866 . . . . 0.0 114.619 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -78.42 -30.87 47.89 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.336 -1.096 . . . . 0.0 110.907 173.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.49 -39.3 24.97 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.559 1.544 . . . . 0.0 113.276 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 tp -56.78 -43.72 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.419 0.687 . . . . 0.0 110.853 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.17 -44.81 94.75 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.765 1.626 . . . . 0.0 112.308 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.39 -51.52 69.57 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.453 0.701 . . . . 0.0 111.813 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.288 4.0 pp -73.56 -24.95 60.17 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 176.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 21.5 m -63.1 -41.23 99.34 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.996 0.817 . . . . 0.0 110.251 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.06 -38.93 69.37 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.402 0.681 . . . . 0.0 112.369 174.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.6 -18.96 65.65 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.0 mt -116.18 9.86 14.77 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.218 1.807 . . . . 0.0 112.267 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -59.07 -27.26 65.36 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.659 1.183 . . . . 0.0 113.539 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 70.0 p -98.28 -7.61 28.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.679 1.592 . . . . 0.0 114.556 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -74.94 143.24 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.13 0.972 . . . . 0.0 111.195 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 57.8 m -54.25 129.45 35.21 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.061 1.745 . . . . 0.0 112.424 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.64 -33.72 73.22 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.331 1.052 . . . . 0.0 113.748 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.592 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.4 pt? -82.02 -4.14 56.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.371 1.469 . . . . 0.0 114.517 175.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -112.79 -6.34 13.85 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.005 1.322 . . . . 0.0 112.515 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 tp -52.43 -45.34 65.92 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.204 1.402 . . . . 0.0 111.27 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.73 -15.67 63.58 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -102.0 -36.53 8.56 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.67 1.188 . . . . 0.0 112.343 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -66.67 -51.16 59.26 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.705 1.202 . . . . 0.0 111.87 174.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.08 -25.76 68.25 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.692 1.197 . . . . 0.0 112.879 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.32 -34.21 70.35 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.08 0.952 . . . . 0.0 111.369 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -70.07 -37.72 75.55 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.275 1.03 . . . . 0.0 111.422 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.7 mt -64.19 -49.84 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.02 0.928 . . . . 0.0 109.269 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.65 -42.04 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.316 0.647 . . . . 0.0 111.128 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.48 -27.29 68.39 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.03 -1.044 . . . . 0.0 113.772 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.87 -31.18 31.65 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.23 0.923 . . . . 0.0 112.404 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.69 -40.98 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.503 1.121 . . . . 0.0 110.114 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.67 -17.72 63.23 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -81.1 -13.06 59.09 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -91.56 152.25 43.3 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.595 1.158 . . . . 0.0 111.356 -175.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 128.33 11.94 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.499 2.132 . . . . 0.0 111.344 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 pp -157.73 169.04 25.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.983 1.713 . . . . 0.0 111.788 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -135.48 7.98 3.34 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.847 1.259 . . . . 0.0 113.473 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -151.16 169.61 21.46 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.857 1.663 . . . . 0.0 111.133 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -85.19 2.67 42.71 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 16.9 ttm -84.09 127.13 33.7 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.146 -0.971 . . . . 0.0 110.957 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 34.6 mm -115.07 110.78 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.354 1.062 . . . . 0.0 110.489 -173.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -86.51 166.41 15.49 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.588 1.155 . . . . 0.0 113.324 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -57.2 -41.49 79.49 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.977 0.911 . . . . 0.0 112.378 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -58.89 -35.14 72.51 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.971 0.908 . . . . 0.0 113.03 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.45 -43.91 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.934 0.894 . . . . 0.0 111.054 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.29 -37.79 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.551 -0.718 . . . . 0.0 112.085 175.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -58.57 -23.51 58.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.991 1.316 . . . . 0.0 112.843 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.71 -34.83 10.76 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.617 1.567 . . . . 0.0 112.723 173.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.37 -36.71 85.04 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.138 -0.976 . . . . 0.0 113.296 176.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.7 p -61.47 -31.0 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.669 0.788 . . . . 0.0 112.513 176.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -69.17 -26.32 64.8 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.149 1.38 . . . . 0.0 112.77 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -96.47 -9.13 30.41 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.889 1.676 . . . . 0.0 112.975 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 63.6 p -126.14 4.44 7.14 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -173.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.102 1.761 . . . . 0.0 112.237 177.39 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.01 -46.27 88.43 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -174.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 78.3 p -60.59 -35.29 75.73 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.0 85.77 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.899 0.772 . . . . 0.0 112.526 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -65.81 -42.33 90.79 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.424 0.69 . . . . 0.0 110.976 174.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.22 -35.93 78.55 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 176.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.18 -31.52 72.04 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.088 0.858 . . . . 0.0 112.487 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -84.84 -12.4 53.62 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.673 1.189 . . . . 0.0 113.371 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.89 1.75 52.17 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.83 1.681 . . . . 0.0 114.253 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.07 163.48 17.89 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.929 1.291 . . . . 0.0 112.51 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -131.27 82.78 2.06 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.628 1.971 . . . . 0.0 109.937 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.16 121.95 11.95 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.632 1.573 . . . . 0.0 110.906 174.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -71.68 164.38 26.04 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.34 1.056 . . . . 0.0 112.851 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.53 -36.83 93.64 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.017 0.818 . . . . 0.0 114.115 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.46 -31.0 66.66 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.339 -1.095 . . . . 0.0 111.219 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.3 -44.7 35.75 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.768 1.227 . . . . 0.0 112.97 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -45.59 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.593 0.633 . . . . 0.0 109.315 174.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -58.11 -37.58 74.83 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.231 1.013 . . . . 0.0 113.096 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.25 -56.01 20.16 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.498 0.59 . . . . 0.0 112.342 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.273 3.8 pp -68.25 -22.9 64.74 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.4 m -59.61 -35.4 74.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.631 1.172 . . . . 0.0 111.542 173.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -77.39 -34.13 54.98 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.959 0.799 . . . . 0.0 112.545 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.52 -31.01 67.93 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -105.87 12.21 30.97 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.679 1.992 . . . . 0.0 111.663 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.34 -28.36 42.24 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.048 1.739 . . . . 0.0 114.94 -174.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 42.7 m -120.09 8.06 10.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.84 1.256 . . . . 0.0 113.339 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mm -70.39 142.51 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.198 0.999 . . . . 0.0 111.141 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 17.1 m -55.19 127.13 27.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.599 1.56 . . . . 0.0 111.787 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.02 -29.22 67.1 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -174.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.88 -32.01 51.64 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.368 1.067 . . . . 0.0 111.646 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -90.04 -6.44 55.54 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.139 2.176 . . . . 0.0 111.807 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.97 -39.67 92.95 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.597 1.159 . . . . 0.0 112.513 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.35 -39.95 77.83 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 175.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -68.21 -37.06 80.47 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.069 0.947 . . . . 0.0 112.415 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -63.89 -53.02 56.96 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.147 1.379 . . . . 0.0 111.047 174.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.79 -20.98 66.67 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.74 0.816 . . . . 0.0 112.913 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.43 -26.76 68.88 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.941 -1.099 . . . . 0.0 111.68 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.05 -40.3 87.1 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.662 -0.649 . . . . 0.0 110.631 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 48.9 mt -61.56 -50.29 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.532 1.133 . . . . 0.0 109.257 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 79.9 mt -54.01 -47.69 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.451 0.7 . . . . 0.0 111.208 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -64.37 -21.79 66.74 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.26 -15.0 21.01 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.135 1.374 . . . . 0.0 112.987 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 39.3 t -84.01 -40.23 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.67 1.588 . . . . 0.0 108.641 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.01 -23.36 66.55 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -87.68 -7.73 57.04 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -82.4 151.03 64.99 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.04 0.936 . . . . 0.0 110.641 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.42 118.92 5.54 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.308 2.006 . . . . 0.0 111.44 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.24 165.31 36.67 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.559 1.543 . . . . 0.0 112.129 176.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 51.8 m -132.83 17.71 4.22 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.774 1.63 . . . . 0.0 112.868 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 21.5 t -148.15 168.8 21.51 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.386 1.874 . . . . 0.0 110.512 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -102.5 2.77 36.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.256 1.022 . . . . 0.0 113.067 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 53.5 mmm -79.44 125.21 29.25 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.668 0.787 . . . . 0.0 110.157 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -108.88 92.99 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.866 0.867 . . . . 0.0 109.39 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.7 162.49 27.64 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.293 1.437 . . . . 0.0 113.246 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -53.89 -46.31 71.33 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.979 0.912 . . . . 0.0 112.287 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 12.4 m -62.76 -24.35 67.67 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.759 0.823 . . . . 0.0 113.064 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.94 -40.51 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.471 1.109 . . . . 0.0 110.538 173.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.45 -37.96 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.229 1.012 . . . . 0.0 111.675 174.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -59.59 -17.57 34.05 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.914 1.286 . . . . 0.0 113.914 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.23 -26.62 13.58 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.285 1.434 . . . . 0.0 112.373 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.56 -37.52 65.51 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.684 1.194 . . . . 0.0 113.365 174.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.65 -27.76 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.449 1.1 . . . . 0.0 112.862 175.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -65.82 -20.25 66.18 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.624 1.57 . . . . 0.0 113.29 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -111.35 -8.58 14.32 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.331 1.452 . . . . 0.0 112.367 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 15.1 m -101.08 -12.52 18.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.895 1.278 . . . . 0.0 114.431 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.359 1.864 . . . . 0.0 112.271 -175.879 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -40.93 98.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.66 1.184 . . . . 0.0 111.945 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 60.9 m -61.01 -34.86 75.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.387 1.075 . . . . 0.0 112.853 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.47 85.48 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.283 0.947 . . . . 0.0 112.568 175.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.99 -45.87 93.03 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.627 -0.671 . . . . 0.0 110.359 174.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.63 -42.88 79.61 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.634 1.574 . . . . 0.0 113.523 174.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 49.4 mt -64.03 -36.27 83.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.318 1.047 . . . . 0.0 113.239 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -77.67 -14.42 59.63 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.12 5.44 25.06 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.502 1.525 . . . . 0.0 115.198 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.48 166.28 11.94 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.173 1.389 . . . . 0.0 112.645 -175.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.7 mt -128.18 76.25 1.68 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.554 1.942 . . . . 0.0 110.042 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 29.1 tp -56.53 116.4 3.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.329 1.451 . . . . 0.0 111.164 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -69.08 160.96 30.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.394 1.078 . . . . 0.0 112.699 -176.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.69 -28.0 69.18 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.097 0.855 . . . . 0.0 114.423 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.95 -27.34 60.15 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.559 -0.965 . . . . 0.0 112.099 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.05 -39.1 13.13 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.161 1.384 . . . . 0.0 112.555 -176.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.01 -41.61 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.75 0.704 . . . . 0.0 110.231 173.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -65.93 -34.37 77.97 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.112 1.365 . . . . 0.0 112.764 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -65.05 -54.32 32.0 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.412 0.551 . . . . 0.0 111.897 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.285 1.9 pp -76.82 -20.33 56.49 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -31.7 72.7 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.118 1.326 . . . . 0.0 111.773 173.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.68 -35.62 52.09 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.538 -0.726 . . . . 0.0 112.095 173.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.81 -16.23 64.01 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 82.4 mt -124.43 15.85 8.94 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.83 2.052 . . . . 0.0 111.804 -176.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -56.76 -28.76 61.74 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.69 1.596 . . . . 0.0 114.399 -174.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 35.6 m -116.22 5.55 13.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.761 1.224 . . . . 0.0 113.698 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -71.21 142.95 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.422 1.089 . . . . 0.0 110.769 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 23.4 m -54.61 128.78 33.89 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.272 1.829 . . . . 0.0 112.741 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.19 -34.29 73.42 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.615 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.5 pt? -80.42 -3.6 50.41 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.707 1.203 . . . . 0.0 113.554 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -119.05 -3.17 10.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.343 1.857 . . . . 0.0 112.996 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 tp -57.86 -45.66 85.96 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.389 0.995 . . . . 0.0 111.922 -174.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.84 -34.19 69.08 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.34 -39.48 78.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.563 0.745 . . . . 0.0 112.045 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -66.34 -51.74 54.17 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 111.336 174.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.47 -18.47 63.81 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.275 1.43 . . . . 0.0 113.245 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -58.78 -33.43 70.31 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.254 -0.904 . . . . 0.0 111.018 174.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.91 -38.43 91.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.678 0.791 . . . . 0.0 111.294 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.87 -52.86 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.407 1.083 . . . . 0.0 108.822 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 82.4 mt -57.07 -43.98 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.886 0.766 . . . . 0.0 110.991 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.93 -21.75 66.88 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.03 -32.34 15.94 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.397 1.079 . . . . 0.0 112.043 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.2 -39.62 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.766 1.227 . . . . 0.0 110.033 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.3 -4.0 3.38 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.729 1.612 . . . . 0.0 114.955 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.35 10.1 17.03 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.062 1.745 . . . . 0.0 113.599 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -107.28 156.15 38.16 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.691 1.596 . . . . 0.0 112.009 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.98 124.29 9.51 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.216 2.61 . . . . 0.0 111.744 175.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -158.37 166.71 31.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.989 1.716 . . . . 0.0 111.441 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -128.93 9.33 5.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.861 1.264 . . . . 0.0 113.893 -174.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 83.2 p -150.23 176.79 10.54 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.068 1.747 . . . . 0.0 111.083 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -87.9 4.63 44.03 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.565 -0.709 . . . . 0.0 112.562 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 16.3 mtp -87.38 131.86 34.15 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.474 -0.766 . . . . 0.0 110.383 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 29.1 mm -113.78 103.98 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.821 0.849 . . . . 0.0 110.528 -173.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.69 169.9 17.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.374 1.47 . . . . 0.0 113.854 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -60.5 -41.66 94.77 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.174 0.99 . . . . 0.0 112.754 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 10.6 p -65.48 -23.97 67.04 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 84.4 t -77.28 -44.52 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.99 0.916 . . . . 0.0 111.069 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.09 -28.8 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 O-C-N 120.946 -1.097 . . . . 0.0 112.829 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -59.61 -25.15 64.41 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.92 1.288 . . . . 0.0 113.403 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.39 -33.66 10.96 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.246 1.418 . . . . 0.0 112.712 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.02 -34.18 77.17 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.011 -1.055 . . . . 0.0 113.287 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.16 -30.3 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.323 -0.861 . . . . 0.0 112.699 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -66.49 -39.72 88.9 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.442 1.097 . . . . 0.0 111.568 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.98 -26.29 59.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.195 1.798 . . . . 0.0 112.372 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m -93.73 -9.46 37.61 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.255 1.348 0 C-N-CA 126.423 1.889 . . . . 0.0 113.465 -176.594 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.88 -40.52 95.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.962 0.905 . . . . 0.0 112.595 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 92.1 p -62.47 -33.6 75.15 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.72 92.6 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.878 0.871 . . . . 0.0 112.411 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . 0.503 ' CE1' HD21 ' M' ' 69' ' ' LEU . 35.7 m-85 -66.95 -44.03 81.64 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.538 -0.726 . . . . 0.0 110.655 173.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -57.45 -49.53 75.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.155 1.382 . . . . 0.0 113.098 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 pp -68.38 -26.88 65.78 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -79.14 -12.45 59.99 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.808 1.243 . . . . 0.0 113.171 174.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.12 5.02 35.44 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.849 1.69 . . . . 0.0 115.289 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.2 164.62 12.24 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.519 1.528 . . . . 0.0 112.893 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.2 mt -128.74 81.74 2.04 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.645 1.978 . . . . 0.0 110.283 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 25.2 tp -60.14 121.98 13.27 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.472 1.509 . . . . 0.0 111.357 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -74.97 166.86 22.99 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.502 1.121 . . . . 0.0 113.308 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.2 -22.0 74.19 Favored Glycine 0 CA--C 1.538 1.482 0 N-CA-C 115.707 1.043 . . . . 0.0 115.707 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -89.74 -30.07 18.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.325 1.562 . . . . 0.0 110.15 172.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.98 80.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.519 1.128 . . . . 0.0 111.97 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.2 tp -58.74 -43.52 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.925 0.89 . . . . 0.0 111.263 174.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -64.82 -35.25 80.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.392 1.477 . . . . 0.0 112.867 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -64.17 -51.39 64.05 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.923 0.489 . . . . 0.0 111.85 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.261 3.3 pp -79.83 -15.03 58.2 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -54.19 -52.24 61.82 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.856 1.262 . . . . 0.0 110.877 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.24 -21.98 52.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.37 -16.57 60.37 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.439 1.095 . . . . 0.0 113.566 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 98.2 mt -123.93 -2.93 8.19 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.323 1.449 . . . . 0.0 114.113 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -59.34 -30.46 68.4 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.011 -1.056 . . . . 0.0 113.499 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 75.5 p -85.99 -10.38 55.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.955 1.302 . . . . 0.0 114.446 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.95 139.02 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.895 0.878 . . . . 0.0 111.571 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -57.16 123.37 15.05 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.175 1.79 . . . . 0.0 112.225 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.7 -25.95 65.2 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' M' ' 63' ' ' LEU . 1.9 pp -84.96 -0.18 53.41 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.69 1.596 . . . . 0.0 113.221 177.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.18 -4.93 5.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.929 2.491 . . . . 0.0 112.403 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.53 -39.69 91.96 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.037 1.735 . . . . 0.0 112.192 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.48 -40.01 81.14 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.61 -37.14 84.25 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.412 -0.805 . . . . 0.0 112.355 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -65.57 -54.46 27.64 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.27 1.028 . . . . 0.0 111.78 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . 0.503 HD21 ' CE1' ' M' ' 38' ' ' PHE . 6.0 tt -62.26 -29.12 70.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.737 1.215 . . . . 0.0 111.751 -177.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.92 -29.33 69.54 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.182 -0.948 . . . . 0.0 112.094 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -68.7 -36.66 78.76 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.362 -0.836 . . . . 0.0 110.947 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 37.1 mt -64.2 -50.71 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.261 1.024 . . . . 0.0 108.931 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 73.4 mt -58.55 -43.02 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.91 0.777 . . . . 0.0 110.892 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -62.53 -26.12 68.4 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.43 -30.13 25.57 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.149 0.886 . . . . 0.0 111.868 175.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.23 -39.6 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.587 1.155 . . . . 0.0 109.426 172.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -62.4 -17.16 58.48 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.179 1.392 . . . . 0.0 114.655 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -79.63 -18.11 52.27 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -89.1 145.84 35.17 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 124.333 1.053 . . . . 0.0 111.678 -174.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.67 136.65 19.34 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.353 2.036 . . . . 0.0 111.149 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.06 167.19 26.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.711 1.604 . . . . 0.0 111.844 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 42.2 m -126.29 7.26 7.1 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.934 1.294 . . . . 0.0 113.6 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 85.5 p -150.18 173.14 14.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.292 1.837 . . . . 0.0 110.809 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -89.79 7.43 37.0 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.246 -0.909 . . . . 0.0 113.321 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.9 mtp -86.48 129.57 34.81 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.385 -0.822 . . . . 0.0 110.914 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 30.7 mm -113.73 98.48 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.69 1.196 . . . . 0.0 109.979 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.5 168.31 20.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.216 1.006 . . . . 0.0 113.381 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -50.17 -48.86 53.79 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.992 0.917 . . . . 0.0 111.816 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -57.01 -30.14 63.92 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.264 1.025 . . . . 0.0 112.918 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.2 t -76.01 -45.28 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.831 1.252 . . . . 0.0 111.426 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.72 -39.01 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.991 0.917 . . . . 0.0 112.147 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.29 -21.04 61.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.543 1.937 . . . . 0.0 113.068 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.78 -32.26 11.12 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.115 1.766 . . . . 0.0 112.532 173.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.68 75.44 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.037 -1.039 . . . . 0.0 113.48 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.67 -28.82 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.28 -0.888 . . . . 0.0 112.701 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -68.45 -20.41 64.63 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.624 1.57 . . . . 0.0 113.038 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -108.33 -8.59 15.62 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.369 1.868 . . . . 0.0 113.021 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 68.4 p -126.84 2.69 6.66 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -173.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.113 1.765 . . . . 0.0 112.457 176.263 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.94 -44.4 96.84 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 78.4 p -60.09 -34.38 73.39 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.33 76.72 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.151 0.887 . . . . 0.0 112.028 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.48 -43.64 98.51 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.343 0.519 . . . . 0.0 110.94 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -60.32 -40.44 90.63 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.79 1.236 . . . . 0.0 113.395 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.26 -36.06 82.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.234 1.014 . . . . 0.0 112.728 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -80.33 -13.93 58.78 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 175.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.16 9.82 29.0 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.675 1.607 . . . . 0.0 115.563 174.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.26 164.84 12.49 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.284 1.434 . . . . 0.0 113.159 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -127.56 76.28 1.66 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.995 2.118 . . . . 0.0 109.797 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.16 120.32 8.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.536 1.535 . . . . 0.0 111.814 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -72.78 165.42 24.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.775 1.23 . . . . 0.0 113.019 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.87 -35.0 91.39 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.085 0.85 . . . . 0.0 114.774 -177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.27 -32.36 62.89 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.818 1.309 . . . . 0.0 111.246 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.41 -43.3 60.75 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.23 1.012 . . . . 0.0 113.009 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -44.13 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.62 0.645 . . . . 0.0 109.551 174.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -59.99 -42.8 95.02 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.636 1.174 . . . . 0.0 111.892 174.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -58.67 -52.59 65.03 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.625 0.77 . . . . 0.0 111.873 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.267 3.0 pp -72.85 -24.04 60.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 177.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -64.44 -41.08 96.77 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.097 0.959 . . . . 0.0 111.297 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -67.53 -35.12 78.48 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.569 -0.707 . . . . 0.0 112.452 174.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.29 71.72 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.949 0.9 . . . . 0.0 113.221 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.23 5.7 50.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.652 1.581 . . . . 0.0 112.945 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -52.61 -31.39 36.22 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.485 1.514 . . . . 0.0 113.723 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 32.9 m -110.62 3.92 19.76 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.801 1.24 . . . . 0.0 113.645 -177.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -75.06 141.8 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.214 1.006 . . . . 0.0 110.649 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 24.6 m -55.48 126.61 25.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.101 1.76 . . . . 0.0 112.3 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.74 -37.19 75.65 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.582 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.5 pt? -77.25 -5.0 47.69 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.936 1.295 . . . . 0.0 113.98 176.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -117.3 0.07 12.15 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.873 2.069 . . . . 0.0 112.228 176.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 43.6 tp -61.66 -41.33 97.4 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.275 1.43 . . . . 0.0 111.818 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.78 -45.24 68.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.368 0.667 . . . . 0.0 111.775 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.61 -34.45 77.04 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.479 -0.763 . . . . 0.0 112.377 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -68.2 -56.4 8.85 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.966 1.306 . . . . 0.0 110.412 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.67 -24.48 67.8 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.8 0.84 . . . . 0.0 113.175 -176.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.02 -34.0 72.77 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.417 -0.802 . . . . 0.0 111.219 174.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -71.01 -33.5 70.42 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.914 0.886 . . . . 0.0 111.224 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 44.0 mt -63.88 -51.39 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.23 -42.39 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.123 0.569 . . . . 0.0 110.959 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.23 -24.21 67.77 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 175.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.66 -26.75 21.7 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.417 1.087 . . . . 0.0 112.343 174.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.14 -41.1 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.882 1.273 . . . . 0.0 109.512 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -65.03 -6.16 8.06 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.289 1.836 . . . . 0.0 115.873 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -117.45 4.02 12.48 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -87.19 154.82 54.85 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.754 1.222 . . . . 0.0 111.37 174.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.18 129.02 12.67 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.665 2.243 . . . . 0.0 111.707 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.75 168.84 24.96 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.099 1.759 . . . . 0.0 111.802 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.1 p -126.31 3.39 7.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.563 1.545 . . . . 0.0 114.208 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 75.8 p -148.81 176.9 10.0 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.327 1.851 . . . . 0.0 111.159 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -90.91 7.46 39.99 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.594 -0.691 . . . . 0.0 112.593 176.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 12.5 mtp -86.49 129.55 34.82 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 121.496 -0.753 . . . . 0.0 110.378 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 32.1 mm -112.86 101.39 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.855 0.862 . . . . 0.0 110.465 -173.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -78.88 170.49 16.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.94 1.296 . . . . 0.0 113.568 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -51.79 -49.0 63.56 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.111 0.964 . . . . 0.0 111.617 175.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -58.3 -26.2 62.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.671 0.788 . . . . 0.0 112.877 -176.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 67.1 t -79.47 -46.63 22.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.511 1.124 . . . . 0.0 111.852 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 18.6 m -68.39 -30.04 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 121.045 -1.034 . . . . 0.0 113.535 174.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -62.47 -21.45 65.47 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.766 1.626 . . . . 0.0 113.046 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.59 -32.06 9.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.632 1.573 . . . . 0.0 112.274 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.22 82.75 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.159 -0.963 . . . . 0.0 113.228 175.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.8 p -60.55 -33.17 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.649 -0.657 . . . . 0.0 112.488 176.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -71.78 -24.3 61.72 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.787 1.635 . . . . 0.0 112.547 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -93.09 -9.25 40.25 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.807 1.643 . . . . 0.0 113.012 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 68.2 p -126.34 7.98 7.12 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -173.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.244 1.818 . . . . 0.0 112.744 178.282 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -44.31 97.45 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.886 -0.509 . . . . 0.0 111.444 174.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 33.7 p -64.34 -33.16 75.2 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.96 96.52 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.033 0.933 . . . . 0.0 112.0 174.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.75 -45.02 91.73 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.805 -0.559 . . . . 0.0 110.573 173.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.48 -47.89 84.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.73 -26.06 65.96 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.106 0.867 . . . . 0.0 113.32 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 74.8 mmt-85 -77.43 -12.3 59.94 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.898 1.279 . . . . 0.0 113.036 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.69 4.89 26.25 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.633 1.587 . . . . 0.0 115.67 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -100.8 169.91 8.68 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.205 1.402 . . . . 0.0 112.842 -174.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 97.0 mt -129.62 78.01 1.82 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.076 1.75 . . . . 0.0 109.721 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.4 tp -56.57 117.34 3.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.116 1.366 . . . . 0.0 111.47 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -70.87 161.61 30.71 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.526 1.13 . . . . 0.0 112.241 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.38 -29.55 73.62 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 123.863 0.744 . . . . 0.0 113.923 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -22.9 60.84 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.413 -1.051 . . . . 0.0 112.908 174.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.35 -38.59 10.91 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.067 1.347 . . . . 0.0 112.691 -178.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.3 tp -60.82 -39.88 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.267 -0.895 . . . . 0.0 111.429 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -69.28 -21.19 63.9 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -76.12 -55.52 5.51 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.81 0.844 . . . . 0.0 110.695 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 pp -78.52 -19.47 52.87 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 6.4 t -61.27 -35.91 78.59 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.584 1.084 . . . . 0.0 111.916 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.81 -35.44 51.34 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.112 -0.993 . . . . 0.0 112.239 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.33 -17.46 64.78 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.1 mt -107.56 -4.9 17.9 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.601 1.561 . . . . 0.0 113.072 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.42 -29.72 69.17 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.24 1.016 . . . . 0.0 112.22 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 76.8 p -81.51 3.85 23.35 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.641 1.576 . . . . 0.0 114.43 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mm -116.49 144.07 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.924 1.69 . . . . 0.0 111.208 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 42.4 m -54.82 127.33 28.03 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.348 1.859 . . . . 0.0 112.112 174.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.29 -30.24 68.18 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . 0.579 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.1 pt? -83.21 -2.06 54.61 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.097 1.359 . . . . 0.0 114.438 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.41 2.99 11.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.469 1.907 . . . . 0.0 111.96 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -56.78 -44.38 81.81 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.619 1.968 . . . . 0.0 112.483 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -68.0 -45.28 74.52 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.977 0.511 . . . . 0.0 112.052 -176.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -64.84 -34.22 77.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.44 0.696 . . . . 0.0 112.305 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -68.49 -54.34 17.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.073 0.949 . . . . 0.0 111.464 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.56 -25.16 67.13 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.174 1.39 . . . . 0.0 113.073 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.44 -33.13 70.89 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.666 0.787 . . . . 0.0 111.314 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -73.71 -32.51 63.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.465 1.106 . . . . 0.0 111.604 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.9 -52.22 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.01 -42.0 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.613 -0.68 . . . . 0.0 111.108 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -61.42 -26.51 67.91 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.61 -33.11 23.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.561 0.744 . . . . 0.0 111.911 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 67.4 t -64.0 -41.97 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.648 1.179 . . . . 0.0 110.559 173.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.01 -6.52 8.82 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.98 1.712 . . . . 0.0 115.541 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -120.73 2.86 10.63 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -79.65 154.94 76.16 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 123.603 0.761 . . . . 0.0 109.866 173.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.44 113.92 3.91 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.353 2.035 . . . . 0.0 111.805 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.71 166.65 32.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.752 1.621 . . . . 0.0 111.966 176.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -131.14 17.1 5.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.366 1.466 . . . . 0.0 112.829 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 20.5 t -149.31 170.99 17.24 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.38 1.872 . . . . 0.0 110.401 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -99.93 2.24 43.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.872 0.869 . . . . 0.0 112.937 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.8 mtp -80.74 131.96 35.49 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.385 -0.822 . . . . 0.0 110.443 176.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.6 mm -114.71 104.15 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.922 0.889 . . . . 0.0 110.754 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -79.84 170.08 17.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.737 1.615 . . . . 0.0 113.737 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -53.55 -49.7 67.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.628 0.771 . . . . 0.0 112.06 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 15.2 m -59.02 -24.97 63.27 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.969 0.908 . . . . 0.0 113.193 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.67 -45.88 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.274 1.03 . . . . 0.0 112.043 175.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 23.9 m -69.51 -32.54 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 CA-C-N 119.796 1.18 . . . . 0.0 112.975 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.1 -21.9 66.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.947 1.699 . . . . 0.0 112.888 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.13 -31.07 11.23 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.61 1.564 . . . . 0.0 113.041 174.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.67 87.72 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.288 -0.882 . . . . 0.0 113.221 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.6 p -58.98 -26.93 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -66.28 -12.06 54.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.293 1.837 . . . . 0.0 113.454 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -117.64 -22.65 7.97 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.118 1.367 . . . . 0.0 113.255 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 98.5 p -80.0 -16.31 55.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.899 1.68 . . . . 0.0 112.315 -174.215 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.3 -36.93 74.07 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.53 1.132 . . . . 0.0 112.693 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 54.2 p -57.95 -34.83 70.34 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.66 69.13 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.41 -0.806 . . . . 0.0 112.217 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -64.66 -40.85 96.14 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.318 0.647 . . . . 0.0 110.744 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -60.02 -44.55 94.54 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.119 1.368 . . . . 0.0 112.42 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 43.1 mt -60.59 -36.46 78.6 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.133 0.973 . . . . 0.0 113.061 176.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -79.92 -7.12 58.58 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 175.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.45 11.97 57.68 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.211 1.386 . . . . 0.0 114.825 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.96 160.48 23.33 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.55 1.175 . . . . 0.0 111.901 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 98.0 mt -124.33 50.58 1.67 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.209 2.204 . . . . 0.0 109.758 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 45' ' ' LEU . . . . . 0.414 HD23 HD13 ' M' ' 50' ' ' ILE . 50.3 tp -47.39 120.98 3.53 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.399 1.88 . . . . 0.0 112.219 178.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -60.95 156.08 18.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.984 1.314 . . . . 0.0 112.918 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.86 -26.43 72.2 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.208 0.909 . . . . 0.0 114.725 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -75.67 -33.46 60.41 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.278 1.039 . . . . 0.0 110.889 173.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.01 -41.54 35.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.843 1.257 . . . . 0.0 112.462 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 50' ' ' ILE . . . . . 0.414 HD13 HD23 ' M' ' 45' ' ' LEU . 11.2 tp -63.36 -39.1 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-O 121.198 0.523 . . . . 0.0 111.081 174.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.27 -42.28 99.1 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.154 1.382 . . . . 0.0 111.473 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -58.13 -49.98 75.1 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.395 0.543 . . . . 0.0 111.971 176.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.27 2.9 pp -74.14 -20.31 60.27 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -34.89 79.32 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 120.665 1.575 . . . . 0.0 111.607 174.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.21 -33.55 70.02 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.586 -0.696 . . . . 0.0 112.008 174.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.83 -10.67 60.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.438 1.095 . . . . 0.0 113.67 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.5 mt -125.36 13.27 8.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.869 2.068 . . . . 0.0 112.211 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -53.53 -25.71 18.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.732 2.013 . . . . 0.0 115.192 -174.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -124.96 10.64 8.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.653 1.181 . . . . 0.0 113.243 -177.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mm -72.26 141.05 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.69 0.796 . . . . 0.0 111.02 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 10.4 m -56.01 130.46 43.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.898 1.679 . . . . 0.0 112.629 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.68 -31.32 62.3 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -174.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 pp -96.94 -7.05 34.17 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.515 1.126 . . . . 0.0 113.393 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -101.26 -12.97 18.28 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.449 1.5 . . . . 0.0 112.397 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 tp -54.39 -43.81 71.74 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.271 1.828 . . . . 0.0 112.181 -174.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -71.91 -25.69 62.01 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -85.82 -36.74 19.85 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.542 1.137 . . . . 0.0 111.433 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -63.2 -54.41 37.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.031 1.332 . . . . 0.0 111.286 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.85 -22.88 66.57 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.635 0.774 . . . . 0.0 112.925 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.61 -28.41 69.34 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.172 -0.955 . . . . 0.0 111.207 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.48 -37.19 79.91 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.543 -0.723 . . . . 0.0 111.1 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.59 -51.55 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.128 0.971 . . . . 0.0 108.754 174.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.77 -46.76 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.97 0.908 . . . . 0.0 110.848 177.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -63.32 -28.0 69.71 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 176.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.95 -25.73 34.59 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.282 0.946 . . . . 0.0 112.335 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.99 -38.9 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.377 -0.827 . . . . 0.0 109.462 172.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.64 -28.57 70.0 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -73.52 -15.54 61.3 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -89.01 129.1 49.47 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.345 1.058 . . . . 0.0 110.26 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.66 129.16 33.51 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.925 2.417 . . . . 0.0 112.541 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 pp -153.92 168.15 27.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.229 1.412 . . . . 0.0 112.504 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 80.4 p -139.47 9.8 2.47 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.313 1.445 . . . . 0.0 113.847 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 44.5 m -157.05 163.45 39.02 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.003 1.721 . . . . 0.0 111.098 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -93.33 4.92 53.19 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.62 1.168 . . . . 0.0 113.639 -175.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 10.3 ttm -90.1 82.58 6.07 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.643 1.177 . . . . 0.0 111.303 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 23.0 mm -68.22 138.75 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.442 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -122.91 166.47 14.98 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.484 1.113 . . . . 0.0 112.666 -174.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -57.8 -40.64 80.41 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.519 -0.738 . . . . 0.0 112.182 -174.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 21.8 t -59.16 -34.93 72.69 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 85.8 t -73.38 -43.99 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.925 0.89 . . . . 0.0 111.063 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.36 -39.82 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 121.546 -0.721 . . . . 0.0 112.042 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -59.0 -15.94 15.72 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.464 1.506 . . . . 0.0 114.096 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.2 -33.51 9.16 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.558 1.543 . . . . 0.0 111.81 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.62 87.23 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.429 1.091 . . . . 0.0 113.142 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.17 -29.11 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.542 1.137 . . . . 0.0 112.78 175.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -70.92 -21.35 62.37 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.881 1.272 . . . . 0.0 112.973 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -105.69 -8.14 18.05 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.097 1.359 . . . . 0.0 112.805 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 62.8 p -122.41 2.27 9.65 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -174.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.549 1.939 . . . . 0.0 112.363 176.85 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 11.1 tpt . . . . . 0 CA--C 1.545 0.777 0 CA-C-O 121.165 0.507 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.15 165.59 17.93 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 126.067 1.747 . . . . 0.0 111.01 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -46.59 -39.36 22.86 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 124.337 3.358 . . . . 0.0 115.895 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.98 -19.84 65.45 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -100.85 -36.8 8.94 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.405 1.482 . . . . 0.0 110.744 174.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.33 -48.22 74.5 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.297 1.839 . . . . 0.0 111.602 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.04 -49.27 66.65 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.934 1.293 . . . . 0.0 112.351 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 50.6 m -63.79 -42.4 97.74 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 49.7 mmm-85 -61.35 -46.98 87.95 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.078 0.951 . . . . 0.0 111.211 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.89 74.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.809 1.244 . . . . 0.0 113.184 -175.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 68.3 mt -60.74 -43.64 97.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.438 0.563 . . . . 0.0 110.63 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 48.6 m -59.45 -36.93 76.86 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.39 96.59 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . 0.434 ' CE1' HD21 ' M' ' 69' ' ' LEU . 31.9 m-85 -69.54 -41.83 75.42 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.434 0.694 . . . . 0.0 111.168 173.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.91 -37.98 84.13 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.96 -24.93 66.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.53 1.132 . . . . 0.0 113.388 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -97.36 -1.37 44.65 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.553 1.541 . . . . 0.0 113.794 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.57 1.07 74.89 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 125.19 1.376 . . . . 0.0 114.752 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -85.13 167.98 15.24 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 122.889 1.328 . . . . 0.0 111.621 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.94 158.43 40.26 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 128.075 2.55 . . . . 0.0 106.975 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 33.5 tp -137.71 125.87 23.03 Favored 'General case' 0 C--O 1.238 0.466 0 O-C-N 121.673 -0.642 . . . . 0.0 111.974 -173.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -57.08 156.57 6.91 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.909 1.684 . . . . 0.0 113.82 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.1 -33.63 85.93 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 123.853 0.739 . . . . 0.0 114.318 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -73.23 -28.23 62.04 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.189 -1.183 . . . . 0.0 111.852 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.95 -43.08 20.27 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.541 1.136 . . . . 0.0 112.861 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 tp -58.8 -44.91 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.496 0.718 . . . . 0.0 110.359 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -59.76 -43.86 94.1 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.324 1.45 . . . . 0.0 112.028 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -58.32 -53.67 55.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.285 0.634 . . . . 0.0 111.597 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.277 4.0 pp -74.37 -24.2 59.12 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 178.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -63.2 -40.7 98.25 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.447 -0.783 . . . . 0.0 110.256 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.99 -37.05 67.16 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.557 -0.714 . . . . 0.0 112.296 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.49 65.39 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 81.0 mt -110.49 7.47 22.67 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.155 1.782 . . . . 0.0 112.66 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -51.61 -30.0 19.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.129 1.772 . . . . 0.0 115.162 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 45.8 m -116.87 6.32 13.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.767 1.227 . . . . 0.0 113.58 -176.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.09 142.96 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.982 0.913 . . . . 0.0 110.633 174.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 22.5 m -52.9 129.46 30.32 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.009 1.723 . . . . 0.0 112.901 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.72 -32.69 67.66 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -174.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.611 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -88.03 -4.24 58.81 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.887 1.275 . . . . 0.0 113.754 177.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -114.12 -6.91 13.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.184 1.794 . . . . 0.0 112.567 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 64.5 tp -57.6 -41.95 82.26 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.837 1.655 . . . . 0.0 111.887 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.31 -46.03 71.38 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.303 0.641 . . . . 0.0 111.871 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.38 -34.53 78.54 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.183 0.993 . . . . 0.0 112.868 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -68.82 -53.93 18.7 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 125.02 1.328 . . . . 0.0 112.202 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . 0.434 HD21 ' CE1' ' M' ' 38' ' ' PHE . 6.1 tt -60.97 -26.2 67.38 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.907 1.283 . . . . 0.0 111.878 178.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -62.38 -26.82 68.68 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.075 -1.016 . . . . 0.0 112.318 176.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.97 -29.41 64.21 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.496 -0.753 . . . . 0.0 111.79 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 52.3 mt -69.13 -50.82 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.16 -43.51 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.361 0.664 . . . . 0.0 111.502 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -60.62 -25.17 66.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.7 -40.84 18.38 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.91 0.777 . . . . 0.0 111.387 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 92.4 t -56.85 -40.09 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.891 0.876 . . . . 0.0 111.136 173.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -63.0 -7.64 5.71 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -125.97 10.64 7.62 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.497 1.519 . . . . 0.0 114.033 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -99.23 154.56 37.24 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 125.392 1.477 . . . . 0.0 111.678 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.28 126.07 11.96 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.007 2.471 . . . . 0.0 111.594 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.03 167.62 29.82 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.254 1.821 . . . . 0.0 112.0 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 80.1 p -138.72 8.05 2.55 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.044 1.338 . . . . 0.0 114.179 -174.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.6 t -153.28 159.74 42.6 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.312 1.845 . . . . 0.0 110.559 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -77.83 -5.25 50.24 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.489 -0.757 . . . . 0.0 112.181 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 52.1 tpp -83.13 104.19 13.12 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.869 1.267 . . . . 0.0 110.749 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mm -80.32 143.04 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 125.316 1.446 . . . . 0.0 110.243 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -126.12 165.95 17.93 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.455 1.502 . . . . 0.0 113.226 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -54.93 -44.68 74.48 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.426 -0.796 . . . . 0.0 111.872 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 17.9 t -57.48 -33.81 68.38 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.445 0.698 . . . . 0.0 112.803 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.77 -46.71 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.883 0.873 . . . . 0.0 111.018 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.7 -38.44 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 124.024 0.93 . . . . 0.0 112.659 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -60.15 -21.5 61.71 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.121 1.769 . . . . 0.0 113.307 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.91 -32.75 10.06 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.91 1.684 . . . . 0.0 112.5 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.88 80.02 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.1 0.96 . . . . 0.0 113.506 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.64 -30.87 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.895 0.878 . . . . 0.0 112.746 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -62.88 -33.41 75.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.601 1.161 . . . . 0.0 112.36 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -78.43 -32.39 48.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.272 1.029 . . . . 0.0 112.133 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 24.1 p -73.54 -22.29 60.14 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.97 2.108 . . . . 0.0 113.539 -174.302 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 88.0 mmm . . . . . 0 N--CA 1.467 0.418 0 CA-C-O 122.224 1.012 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.57 162.29 27.81 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 127.122 2.169 . . . . 0.0 109.748 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.31 -41.07 52.02 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 123.819 3.013 . . . . 0.0 114.436 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.09 -41.52 97.26 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.506 -0.746 . . . . 0.0 112.649 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -67.29 -36.93 82.55 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.201 1.0 . . . . 0.0 112.123 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 tp -70.55 -45.62 65.11 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.034 1.733 . . . . 0.0 111.603 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -71.32 -26.89 63.04 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.862 1.265 . . . . 0.0 113.934 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 50.1 m -78.05 33.99 0.19 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.279 1.431 . . . . 0.0 114.343 -177.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -45.22 -50.69 11.42 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.299 1.84 . . . . 0.0 113.66 -174.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.81 -53.46 8.45 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.828 0.851 . . . . 0.0 112.967 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.09 -44.93 87.27 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 122.732 0.413 . . . . 0.0 111.975 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -60.1 -37.26 79.45 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.42 0.688 . . . . 0.0 112.26 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.65 98.64 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.337 -0.852 . . . . 0.0 112.327 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -67.15 -42.36 84.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.289 0.636 . . . . 0.0 111.168 173.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.62 -38.79 85.88 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.507 1.123 . . . . 0.0 113.648 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 56.5 mt -60.69 -30.65 70.07 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.467 1.107 . . . . 0.0 112.59 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -87.15 -7.29 58.14 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.91 1.284 . . . . 0.0 113.452 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.3 -0.26 59.99 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 125.953 1.74 . . . . 0.0 114.584 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.79 165.44 16.01 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.2 1.4 . . . . 0.0 112.13 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 88.7 mt -131.93 94.56 3.51 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.984 1.714 . . . . 0.0 109.404 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.43 121.63 13.15 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.074 0.95 . . . . 0.0 110.875 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -63.93 159.98 18.67 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.074 1.35 . . . . 0.0 113.62 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.49 -31.88 81.63 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 123.896 0.76 . . . . 0.0 114.034 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -75.55 -22.7 56.83 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.065 -1.256 . . . . 0.0 112.043 172.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.72 -41.09 12.78 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.147 1.379 . . . . 0.0 113.05 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 tp -55.68 -43.67 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 123.832 0.853 . . . . 0.0 110.852 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -61.57 -43.8 98.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.254 1.422 . . . . 0.0 112.192 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -60.38 -52.56 64.74 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.403 0.681 . . . . 0.0 111.97 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.284 3.4 pp -73.43 -23.37 60.12 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -62.61 -39.18 92.95 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.158 0.89 . . . . 0.0 110.525 173.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -74.25 -36.26 63.86 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.422 0.689 . . . . 0.0 112.511 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.02 -19.09 64.11 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 62.2 mt -120.26 14.26 12.09 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.597 1.959 . . . . 0.0 111.781 -175.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -61.29 -16.41 45.43 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 74.5 p -116.71 -0.81 12.25 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.942 1.697 . . . . 0.0 113.7 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mm -74.33 141.21 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.377 1.071 . . . . 0.0 111.05 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m -56.4 127.79 32.79 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.936 1.695 . . . . 0.0 112.845 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.4 -24.88 58.11 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -174.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.609 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -98.53 -10.32 23.66 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.546 1.138 . . . . 0.0 113.629 177.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -97.86 -17.99 18.97 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.596 1.558 . . . . 0.0 111.714 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 58.5 tp -53.89 -37.67 63.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.654 1.982 . . . . 0.0 112.777 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -68.22 -27.22 66.18 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -92.16 -36.0 13.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.165 1.386 . . . . 0.0 111.933 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -61.41 -50.24 73.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.41 1.084 . . . . 0.0 111.345 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.01 -20.98 66.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.392 1.077 . . . . 0.0 112.752 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.13 -24.97 67.89 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 120.954 -1.092 . . . . 0.0 111.905 175.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -72.06 -32.34 66.99 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.204 -0.935 . . . . 0.0 111.467 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.78 -50.84 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 84.8 mt -53.1 -48.52 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.798 0.839 . . . . 0.0 111.193 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -61.85 -26.13 67.94 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.48 -31.59 26.44 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.863 0.865 . . . . 0.0 112.301 174.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.66 -38.79 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.703 1.201 . . . . 0.0 110.45 173.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -58.98 -12.7 4.9 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -116.99 3.89 12.8 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -87.27 152.61 52.96 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.928 0.891 . . . . 0.0 110.815 173.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.41 125.49 10.21 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.501 2.134 . . . . 0.0 111.436 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 pp -155.61 168.18 28.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.636 1.574 . . . . 0.0 112.093 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -137.28 14.72 3.01 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.31 1.444 . . . . 0.0 112.932 -175.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -150.32 158.62 44.36 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.416 1.886 . . . . 0.0 110.55 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -80.14 -3.57 49.39 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 1.3 mmt -73.44 128.49 35.65 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.543 -0.723 . . . . 0.0 110.019 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 37.1 mm -109.09 99.38 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.857 0.863 . . . . 0.0 109.503 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.87 164.22 26.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.414 1.485 . . . . 0.0 113.988 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -52.42 -47.16 66.5 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.903 1.281 . . . . 0.0 111.99 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 19.4 m -64.88 -26.19 68.22 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.47 1.108 . . . . 0.0 113.575 -176.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 73.8 t -75.26 -41.75 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.172 0.989 . . . . 0.0 110.148 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.96 -35.85 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 121.432 -0.793 . . . . 0.0 111.731 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -56.76 -25.95 56.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.981 1.312 . . . . 0.0 113.343 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.64 -30.71 12.68 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.294 1.438 . . . . 0.0 113.15 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.4 81.74 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.156 -0.965 . . . . 0.0 113.196 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.97 -27.82 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.09 -1.006 . . . . 0.0 113.151 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -67.55 -20.68 65.44 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.521 1.529 . . . . 0.0 112.706 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -100.45 -35.36 9.58 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.025 1.73 . . . . 0.0 111.263 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 28.2 p -72.44 -15.95 61.82 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.757 1.623 . . . . 0.0 113.195 -172.855 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 4.8 ttp . . . . . 0 CA--C 1.544 0.72 0 CA-C-O 121.107 0.48 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.46 157.25 59.7 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 126.166 1.786 . . . . 0.0 110.379 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -62.41 -29.67 79.47 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.467 2.112 . . . . 0.0 111.966 174.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -52.44 -22.35 4.65 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.355 1.862 . . . . 0.0 113.829 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -59.01 -32.54 69.81 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.745 1.618 . . . . 0.0 113.473 174.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 pp -136.48 -10.62 1.89 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.674 1.59 . . . . 0.0 115.261 -174.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 61.4 ttp85 -46.74 -42.37 16.65 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.996 1.718 . . . . 0.0 114.381 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 19.5 m -55.69 -22.44 23.27 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -56.51 -41.22 76.33 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 120.104 1.32 . . . . 0.0 112.383 174.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.81 72.19 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.664 0.786 . . . . 0.0 112.331 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -42.74 99.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.928 0.891 . . . . 0.0 111.699 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -58.45 -40.34 82.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.663 1.185 . . . . 0.0 112.637 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.33 98.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.497 0.719 . . . . 0.0 112.853 175.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -70.05 -41.1 74.64 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.204 -0.935 . . . . 0.0 111.229 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -57.26 -49.92 74.52 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.384 1.474 . . . . 0.0 112.226 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.7 -26.41 65.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -71.76 -32.62 67.88 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.768 1.227 . . . . 0.0 112.298 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.02 4.42 6.02 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 126.237 1.875 . . . . 0.0 114.887 176.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -99.55 167.0 10.88 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.631 1.572 . . . . 0.0 112.175 -174.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.57 83.1 2.11 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.033 1.733 . . . . 0.0 109.166 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.37 115.82 3.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.277 1.031 . . . . 0.0 110.736 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -64.25 162.2 15.13 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.739 1.616 . . . . 0.0 113.303 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.85 -43.01 99.79 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 123.814 0.721 . . . . 0.0 113.427 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 23.6 pm0 -65.86 -24.25 66.83 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.47 -1.017 . . . . 0.0 113.144 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.36 -44.16 10.4 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.656 1.182 . . . . 0.0 112.698 -176.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -43.32 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.615 0.766 . . . . 0.0 109.765 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -58.93 -44.19 91.29 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.811 1.644 . . . . 0.0 111.777 174.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -60.56 -53.2 60.38 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 122.973 0.509 . . . . 0.0 112.013 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.297 3.1 pp -71.67 -21.17 61.84 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 177.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.8 m -63.97 -39.11 93.39 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.019 0.928 . . . . 0.0 109.902 172.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -75.4 -35.54 61.0 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.577 -0.702 . . . . 0.0 112.045 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.12 -19.67 65.65 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -115.7 12.36 15.96 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.851 1.66 . . . . 0.0 112.906 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -60.87 -18.0 53.64 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 24.4 m -109.53 12.25 24.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.248 1.819 . . . . 0.0 113.033 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.21 142.68 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.262 1.425 . . . . 0.0 110.622 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 39.6 m -53.41 129.22 31.39 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.644 1.978 . . . . 0.0 112.869 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.09 -32.83 68.45 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.547 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.3 pt? -85.02 -4.19 59.06 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.726 1.21 . . . . 0.0 114.197 176.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -114.93 -14.79 11.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.403 1.481 . . . . 0.0 112.74 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.0 -43.04 63.46 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.625 1.57 . . . . 0.0 111.937 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -69.56 -26.26 64.4 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -88.27 -37.68 15.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.546 1.138 . . . . 0.0 111.815 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -60.79 -49.43 77.53 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.831 1.252 . . . . 0.0 111.221 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.86 -19.44 64.14 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.069 1.347 . . . . 0.0 113.242 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.88 -28.29 69.4 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.07 -1.019 . . . . 0.0 111.645 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -71.92 -34.34 68.99 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.936 0.895 . . . . 0.0 111.632 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 61.0 mt -64.66 -50.89 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 173.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -52.59 -50.14 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.163 0.985 . . . . 0.0 111.214 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -63.48 -23.49 67.42 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.79 -26.44 25.77 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.359 0.981 . . . . 0.0 112.486 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.42 -39.5 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.964 1.306 . . . . 0.0 109.892 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -62.59 -8.41 6.39 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.55 6.63 12.53 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -91.18 155.11 44.86 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.602 1.161 . . . . 0.0 111.42 174.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.16 133.45 17.95 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.801 2.334 . . . . 0.0 111.304 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.34 167.23 27.88 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.21 1.804 . . . . 0.0 111.847 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 34.4 m -124.62 2.14 8.25 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.848 1.259 . . . . 0.0 114.079 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 93.8 p -152.85 175.18 13.18 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.003 1.721 . . . . 0.0 110.706 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -85.44 6.58 26.1 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.324 -0.86 . . . . 0.0 113.188 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -75.64 131.98 40.3 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.37 -0.831 . . . . 0.0 110.03 174.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.4 mm -113.76 98.38 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 123.956 0.903 . . . . 0.0 108.671 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.78 168.76 19.52 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.593 1.157 . . . . 0.0 113.886 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -51.0 -49.9 59.51 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.127 0.971 . . . . 0.0 111.459 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -58.56 -30.74 67.37 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.031 0.932 . . . . 0.0 112.873 -175.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.15 -43.65 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.658 1.183 . . . . 0.0 111.159 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -67.87 -37.81 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 121.276 -0.89 . . . . 0.0 112.112 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.27 -20.46 59.13 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.293 1.837 . . . . 0.0 113.127 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.12 -33.8 10.31 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.152 1.781 . . . . 0.0 112.334 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.49 82.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.104 0.962 . . . . 0.0 113.318 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.2 -30.7 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.554 1.141 . . . . 0.0 112.543 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -65.26 -32.98 74.92 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.392 1.077 . . . . 0.0 111.784 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -87.37 -15.43 37.88 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.689 1.996 . . . . 0.0 113.5 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 57.7 p -125.8 -5.94 6.86 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.253 1.244 0 C-N-CA 126.008 1.723 . . . . 0.0 113.606 174.718 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.96 155.03 69.02 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 124.828 1.251 . . . . 0.0 112.615 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -47.75 -30.68 13.34 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 125.03 3.82 . . . . 0.0 116.308 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.08 -23.37 62.0 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.808 -1.183 . . . . 0.0 113.42 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -79.8 -13.63 59.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 pp -118.38 -11.22 10.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.37 1.468 . . . . 0.0 114.159 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -53.45 -53.71 47.46 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.798 1.639 . . . . 0.0 112.293 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 16.0 m -66.82 -30.01 70.08 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.65 -44.95 73.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.211 1.004 . . . . 0.0 111.519 175.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.15 97.85 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.74 1.216 . . . . 0.0 112.131 174.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.07 -44.15 96.58 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.884 0.874 . . . . 0.0 111.936 174.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 70.7 m -60.35 -35.46 75.72 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.111 0.965 . . . . 0.0 112.799 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.92 95.75 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.996 -1.065 . . . . 0.0 112.697 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -62.4 -45.68 92.04 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.541 -0.724 . . . . 0.0 110.278 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -57.14 -41.92 80.02 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.327 1.451 . . . . 0.0 113.162 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 57.0 mt -64.77 -35.05 79.84 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.466 1.106 . . . . 0.0 113.27 175.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -77.16 -12.72 59.98 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.87 5.72 30.86 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.978 1.752 . . . . 0.0 114.841 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.91 166.29 12.8 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.942 1.297 . . . . 0.0 112.443 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 90.7 mt -124.98 81.54 1.97 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.586 1.954 . . . . 0.0 109.339 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 tp -61.63 115.75 4.19 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.394 1.078 . . . . 0.0 110.8 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -60.39 157.19 14.32 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.296 1.438 . . . . 0.0 112.476 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.41 -30.09 75.26 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 123.425 0.536 . . . . 0.0 113.694 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.2 -21.1 59.96 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.291 -1.123 . . . . 0.0 113.079 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.45 -37.29 10.98 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.934 1.293 . . . . 0.0 112.448 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 tp -61.03 -39.78 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 O-C-N 121.36 -0.838 . . . . 0.0 111.372 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.78 -20.77 63.46 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -74.49 -52.46 11.88 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.66 0.784 . . . . 0.0 110.954 174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.25 2.1 pp -84.86 -16.37 41.48 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -175.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 5.7 t -66.08 -34.31 77.78 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.013 1.278 . . . . 0.0 110.862 173.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -69.73 -34.07 73.34 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.992 -1.068 . . . . 0.0 111.539 174.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.34 -14.69 63.17 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.286 1.034 . . . . 0.0 113.005 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 94.8 mt -105.78 -2.08 23.59 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.148 1.779 . . . . 0.0 113.331 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -55.22 -26.54 40.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.041 1.336 . . . . 0.0 113.926 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 38.9 m -115.82 22.98 12.63 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.571 1.549 . . . . 0.0 112.48 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mm -116.29 144.28 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.87 1.668 . . . . 0.0 110.689 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 30.4 m -52.72 134.96 36.05 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.028 2.131 . . . . 0.0 113.542 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.51 -16.28 45.96 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -108.51 4.71 24.48 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.282 1.433 . . . . 0.0 113.447 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -126.51 -4.72 6.57 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.531 1.532 . . . . 0.0 113.257 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 pp -58.95 -36.22 74.43 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.016 0.926 . . . . 0.0 112.629 -174.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.6 -45.12 63.08 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.228 0.611 . . . . 0.0 111.338 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.74 -36.83 84.31 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.809 0.843 . . . . 0.0 112.341 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -66.18 -55.26 17.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.752 1.221 . . . . 0.0 110.879 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.0 -19.83 65.99 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.364 1.065 . . . . 0.0 113.08 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.31 -32.16 68.19 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.243 -0.911 . . . . 0.0 110.819 173.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.29 -37.6 77.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.145 0.978 . . . . 0.0 111.121 176.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 49.6 mt -63.28 -51.62 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.453 1.101 . . . . 0.0 108.868 174.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 98.9 mt -56.39 -44.09 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.635 0.774 . . . . 0.0 111.213 177.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.22 -25.47 68.35 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.15 -30.16 21.26 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.435 1.016 . . . . 0.0 112.085 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.18 -42.37 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.294 1.438 . . . . 0.0 109.795 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.34 -24.7 67.48 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -81.49 -15.23 55.62 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -81.08 128.85 69.53 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 124.128 0.971 . . . . 0.0 110.115 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.41 132.02 49.69 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.594 2.196 . . . . 0.0 113.174 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 pp -157.22 170.28 22.84 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.501 1.52 . . . . 0.0 112.148 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.9 p -137.38 7.63 2.85 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.239 1.416 . . . . 0.0 113.986 -175.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 46.8 m -157.65 161.97 38.64 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.444 1.898 . . . . 0.0 110.752 175.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -80.62 1.77 28.44 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -176.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 21.9 ttm -82.42 130.46 35.11 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.083 0.953 . . . . 0.0 111.303 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -115.3 115.43 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.504 1.122 . . . . 0.0 110.559 -174.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -94.21 171.37 8.87 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.201 1.4 . . . . 0.0 113.727 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -56.27 -45.86 79.92 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.474 -0.766 . . . . 0.0 112.127 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 9.4 t -54.63 -32.91 59.76 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 87.0 t -74.86 -46.83 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.891 0.877 . . . . 0.0 111.944 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 28.0 m -70.61 -31.99 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 119.881 1.219 . . . . 0.0 113.141 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -63.69 -20.12 65.46 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.979 1.711 . . . . 0.0 112.958 175.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.23 -31.75 11.22 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.754 1.622 . . . . 0.0 112.545 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.45 82.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.123 -0.986 . . . . 0.0 113.26 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.1 -28.39 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.794 0.837 . . . . 0.0 112.867 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -66.62 -16.95 64.56 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.51 1.524 . . . . 0.0 113.203 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -116.9 -6.59 11.46 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.545 1.538 . . . . 0.0 113.277 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 52.4 p -122.6 1.16 9.46 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -174.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.254 1.325 0 C-N-CA 126.664 1.985 . . . . 0.0 111.906 174.546 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 121.66 0.743 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.83 153.04 92.1 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 125.398 1.479 . . . . 0.0 112.409 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.13 -26.96 42.21 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.247 2.631 . . . . 0.0 112.691 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.8 -33.26 72.72 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.208 -0.933 . . . . 0.0 112.764 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.73 -40.08 69.65 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.806 0.842 . . . . 0.0 111.741 176.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.49 -45.58 86.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.137 1.375 . . . . 0.0 110.259 174.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.85 -44.9 93.86 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.895 1.278 . . . . 0.0 111.451 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 64.5 m -60.54 -30.36 69.72 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -60.86 -45.42 94.59 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.791 1.178 . . . . 0.0 111.476 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.75 -44.25 50.69 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.45 0.7 . . . . 0.0 112.273 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -35.69 70.13 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.736 -1.228 . . . . 0.0 112.351 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 71.0 m -57.72 -34.35 69.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.255 1.022 . . . . 0.0 113.726 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.87 -41.18 78.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.15 0.886 . . . . 0.0 112.247 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -66.38 -43.03 87.04 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.529 0.731 . . . . 0.0 110.968 173.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -57.48 -51.17 70.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.657 1.583 . . . . 0.0 112.337 176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.04 -27.23 65.47 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -68.46 -35.01 76.96 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.429 1.092 . . . . 0.0 111.825 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.72 2.25 4.42 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.157 1.837 . . . . 0.0 114.946 175.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.39 165.56 13.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.077 1.351 . . . . 0.0 112.232 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 95.1 mt -128.22 56.19 1.63 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.435 1.894 . . . . 0.0 110.502 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 42.9 tp -43.07 119.67 1.59 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.022 2.129 . . . . 0.0 112.893 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -68.43 159.79 30.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.25 1.42 . . . . 0.0 112.512 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.98 -26.98 72.46 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 123.903 0.764 . . . . 0.0 114.926 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -79.17 -31.88 44.05 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.573 1.187 . . . . 0.0 111.062 173.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.96 -39.78 49.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.753 1.221 . . . . 0.0 112.532 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.4 tp -60.96 -44.44 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 121.687 -0.633 . . . . 0.0 110.831 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -58.49 -44.92 89.57 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.723 1.609 . . . . 0.0 111.52 174.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -56.65 -54.99 39.73 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.944 0.898 . . . . 0.0 111.809 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.27 3.1 pp -74.62 -23.03 58.64 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 21.2 m -65.32 -42.0 93.42 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.698 0.799 . . . . 0.0 110.32 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.75 -36.5 75.85 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.622 -0.674 . . . . 0.0 112.121 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.85 -12.63 61.03 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 94.7 mt -123.04 10.45 9.43 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.455 1.902 . . . . 0.0 112.558 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -59.76 -24.57 64.18 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.093 1.357 . . . . 0.0 113.666 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 72.6 p -104.65 -4.62 22.27 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.207 1.803 . . . . 0.0 114.352 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mm -73.82 142.56 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.281 1.032 . . . . 0.0 111.403 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 31.0 m -54.99 126.3 23.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.253 1.821 . . . . 0.0 112.269 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.02 -34.38 73.28 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -174.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.592 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.5 pt? -79.26 -6.84 57.57 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.562 1.145 . . . . 0.0 113.949 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -108.43 -5.09 16.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.819 1.648 . . . . 0.0 112.64 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 66.5 tp -52.94 -43.84 66.61 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.313 1.445 . . . . 0.0 111.35 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -67.33 -19.0 65.39 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -102.56 -34.19 9.2 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.835 1.254 . . . . 0.0 111.832 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -68.98 -50.01 52.76 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.34 0.656 . . . . 0.0 112.079 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.45 -26.78 68.69 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.537 1.135 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.84 -30.79 71.77 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.452 0.701 . . . . 0.0 111.75 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.61 -38.04 86.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.758 0.823 . . . . 0.0 111.447 175.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 52.3 mt -66.17 -51.08 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.518 0.727 . . . . 0.0 109.105 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.59 -45.96 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.807 0.731 . . . . 0.0 111.013 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -62.7 -25.51 68.2 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.196 -0.94 . . . . 0.0 113.495 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.07 -29.2 23.57 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.457 1.026 . . . . 0.0 112.391 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.25 -41.71 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.821 1.248 . . . . 0.0 109.635 173.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -65.33 -22.79 66.86 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.94 -16.08 57.44 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -82.95 126.81 71.76 Favored Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 124.601 1.16 . . . . 0.0 109.8 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.94 130.76 42.43 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.09 2.526 . . . . 0.0 112.776 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -155.26 169.25 24.61 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.242 1.417 . . . . 0.0 112.628 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 78.9 p -138.1 6.13 2.59 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.509 1.524 . . . . 0.0 113.83 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 17.6 t -151.91 164.1 37.83 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.434 1.893 . . . . 0.0 110.485 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -94.58 6.6 48.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.129 0.972 . . . . 0.0 113.485 -175.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 43.1 mmm -78.83 126.59 30.91 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.475 -0.766 . . . . 0.0 109.87 173.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 39.7 mm -111.43 102.87 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.366 0.666 . . . . 0.0 109.92 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.61 169.53 17.53 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.888 1.275 . . . . 0.0 113.676 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -55.84 -45.47 78.4 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.602 0.761 . . . . 0.0 111.912 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 9.8 t -55.27 -32.66 62.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.99 -46.67 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.901 0.881 . . . . 0.0 112.321 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.96 -32.34 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-N 119.453 1.024 . . . . 0.0 112.832 175.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -63.14 -19.88 64.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.646 1.578 . . . . 0.0 112.875 174.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.59 -31.16 10.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.846 1.658 . . . . 0.0 113.149 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.57 -34.57 76.04 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.934 -1.104 . . . . 0.0 113.55 175.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.89 -29.27 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 121.594 -0.692 . . . . 0.0 112.273 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -64.51 -20.4 66.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.269 1.027 . . . . 0.0 113.155 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -108.25 -7.37 15.98 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.368 1.467 . . . . 0.0 113.625 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 67.8 p -130.21 -0.98 4.57 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -173.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.892 2.077 . . . . 0.0 114.299 176.662 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.7 153.44 61.52 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 128.697 2.799 . . . . 0.0 106.918 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -62.5 -24.94 75.6 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 C-N-CA 122.183 1.922 . . . . 0.0 113.476 -174.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -60.48 -24.66 65.44 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.059 -1.026 . . . . 0.0 113.498 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -77.28 -4.68 46.18 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.761 1.224 . . . . 0.0 113.584 174.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 18.4 tp -129.42 -37.83 1.59 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.044 1.738 . . . . 0.0 112.884 -173.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -52.89 -26.06 13.65 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.084 2.154 . . . . 0.0 115.578 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 44.3 m -121.09 -24.83 5.44 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.133 0.973 . . . . 0.0 113.318 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -66.87 -41.13 87.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.118 0.967 . . . . 0.0 112.447 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.94 67.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.468 0.707 . . . . 0.0 112.506 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -42.09 95.61 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.441 -0.787 . . . . 0.0 111.41 174.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.3 m -62.03 -36.63 82.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.379 1.071 . . . . 0.0 112.446 174.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.17 75.06 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.103 -0.998 . . . . 0.0 112.149 174.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -56.67 -44.88 81.83 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.066 0.848 . . . . 0.0 110.588 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -57.93 -43.56 86.35 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.888 1.675 . . . . 0.0 113.261 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.41 -33.72 76.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.109 0.964 . . . . 0.0 113.385 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -76.54 -12.06 59.97 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 176.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.78 -3.85 34.18 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 126.129 1.823 . . . . 0.0 114.386 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.65 174.81 8.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.467 1.507 . . . . 0.0 111.473 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 88.2 mt -135.92 155.18 50.67 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.667 1.987 . . . . 0.0 107.552 173.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 tp -126.12 124.13 39.85 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 tpt85 -54.14 -24.74 18.99 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -171.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.67 -19.9 37.91 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.478 1.037 . . . . 0.0 113.362 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -99.84 -31.02 11.71 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.709 1.204 . . . . 0.0 109.896 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.63 76.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.383 1.073 . . . . 0.0 113.073 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 tp -59.7 -41.48 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.604 0.762 . . . . 0.0 111.111 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -60.23 -45.11 94.35 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.547 1.539 . . . . 0.0 111.647 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -58.62 -53.16 61.5 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.61 0.764 . . . . 0.0 111.693 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.251 4.4 pp -73.1 -23.92 60.57 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 177.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 18.3 m -63.11 -40.56 98.0 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.391 -0.818 . . . . 0.0 110.369 172.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.24 -32.99 67.19 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.245 -0.91 . . . . 0.0 112.501 174.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.9 -20.71 55.9 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 80.8 mt -118.86 8.54 11.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.487 1.515 . . . . 0.0 113.423 -174.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -55.48 -20.81 13.86 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 47.7 m -112.35 -2.97 14.64 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.202 1.401 . . . . 0.0 113.555 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mm -76.46 136.66 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.942 0.897 . . . . 0.0 109.901 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 18.2 m -53.37 128.21 27.65 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.913 1.685 . . . . 0.0 113.124 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.86 -35.22 74.33 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.588 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.2 pt? -75.86 -2.63 31.03 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.341 1.456 . . . . 0.0 114.44 174.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -123.44 -2.33 8.49 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.725 2.01 . . . . 0.0 112.34 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.38 -47.08 86.8 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 125.172 1.389 . . . . 0.0 111.859 -174.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -67.37 -40.35 85.73 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.291 0.496 . . . . 0.0 112.14 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -64.12 -37.86 88.97 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.497 -0.752 . . . . 0.0 112.363 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -68.24 -54.38 18.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.173 0.989 . . . . 0.0 111.101 173.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.47 -30.31 68.44 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.25 1.42 . . . . 0.0 111.983 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.78 -30.38 70.0 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.428 -0.795 . . . . 0.0 112.065 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -66.32 -36.62 83.39 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.492 -0.755 . . . . 0.0 111.091 174.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.51 -52.25 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.025 0.93 . . . . 0.0 108.553 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 87.3 mt -56.03 -42.78 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.755 0.822 . . . . 0.0 111.228 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -66.31 -27.25 67.77 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.46 -32.12 32.71 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.099 0.96 . . . . 0.0 112.407 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.32 -40.02 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.531 1.132 . . . . 0.0 110.599 173.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.94 -22.56 60.21 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 174.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -81.79 -13.78 57.26 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -88.47 149.44 44.45 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 124.612 1.165 . . . . 0.0 111.036 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.19 131.57 16.77 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.411 2.074 . . . . 0.0 111.142 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 pp -156.51 168.17 28.18 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.468 1.507 . . . . 0.0 112.617 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.7 p -134.49 9.28 3.68 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.225 1.41 . . . . 0.0 113.923 -174.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -150.94 157.75 43.29 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.433 1.893 . . . . 0.0 110.216 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -78.15 -4.2 46.34 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.706 -0.621 . . . . 0.0 112.489 174.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 56.4 tpp -77.51 130.97 37.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.972 0.909 . . . . 0.0 111.336 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.8 mm -115.42 136.37 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 125.943 1.697 . . . . 0.0 109.559 -175.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -118.83 165.92 13.44 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.982 1.313 . . . . 0.0 113.184 -174.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -56.34 -41.06 75.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.969 0.908 . . . . 0.0 112.29 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -62.77 -27.91 69.61 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.54 -43.93 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.79 0.836 . . . . 0.0 110.903 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.64 -37.06 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.499 -0.751 . . . . 0.0 112.053 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -58.13 -24.64 59.53 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.024 1.329 . . . . 0.0 113.394 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.45 -34.58 10.96 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.201 1.4 . . . . 0.0 112.81 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.85 78.97 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.084 -1.01 . . . . 0.0 113.309 176.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.88 -31.07 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.404 -0.81 . . . . 0.0 112.609 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -69.3 -27.23 65.21 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.159 1.384 . . . . 0.0 112.472 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -92.33 -9.76 40.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.167 1.787 . . . . 0.0 112.839 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 61.2 p -126.64 5.98 6.8 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -173.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.995 1.718 . . . . 0.0 112.381 179.145 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 81.0 mtp . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 121.209 0.528 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.52 143.0 98.54 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 123.74 0.816 . . . . 0.0 111.788 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -48.68 -35.97 31.36 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 124.722 3.615 . . . . 0.0 115.376 175.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.53 -42.19 62.04 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.554 1.142 . . . . 0.0 112.531 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -67.04 -28.12 67.96 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.633 0.773 . . . . 0.0 112.259 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -75.61 -8.14 56.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.758 1.223 . . . . 0.0 113.306 173.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -121.22 -81.92 0.64 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.285 1.834 . . . . 0.0 111.22 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 74.2 m 45.2 20.95 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.612 2.365 . . . . 0.0 116.737 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -60.81 -48.36 82.17 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 120.861 -1.149 . . . . 0.0 111.326 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.93 -45.18 86.88 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.632 1.173 . . . . 0.0 112.153 177.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -44.07 97.87 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.49 -0.756 . . . . 0.0 111.561 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 33.6 t -61.22 -39.91 92.02 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.185 0.994 . . . . 0.0 112.318 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.55 -40.33 96.72 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.629 -0.669 . . . . 0.0 112.253 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -64.87 -44.64 89.04 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.248 -0.908 . . . . 0.0 110.625 173.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.6 -50.26 73.7 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.35 -24.25 65.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 72.4 mmt-85 -81.67 -11.58 59.02 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.321 1.449 . . . . 0.0 113.086 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.4 2.4 27.72 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.712 1.625 . . . . 0.0 115.673 173.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -99.81 168.7 9.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.199 1.399 . . . . 0.0 112.742 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 94.5 mt -129.83 82.56 2.08 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.501 1.92 . . . . 0.0 109.61 175.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.82 121.63 14.48 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.681 1.192 . . . . 0.0 111.389 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -62.65 159.46 16.05 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.899 1.28 . . . . 0.0 113.308 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.8 -26.01 72.01 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.302 0.953 . . . . 0.0 114.749 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.0 -31.55 56.56 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.164 -1.198 . . . . 0.0 110.761 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.82 -41.75 22.78 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.266 1.426 . . . . 0.0 113.193 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.2 tp -55.33 -43.99 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.605 0.762 . . . . 0.0 110.984 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -60.93 -43.48 98.58 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.46 1.504 . . . . 0.0 112.109 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -61.21 -54.39 44.88 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.104 0.561 . . . . 0.0 112.163 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.31 2.7 pp -71.62 -23.68 61.75 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 17.3 m -64.23 -42.87 96.35 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.225 -0.922 . . . . 0.0 110.417 173.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.49 -35.87 70.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.402 0.681 . . . . 0.0 112.614 174.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -15.95 63.59 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.2 mt -121.99 10.67 10.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.008 1.723 . . . . 0.0 112.912 -174.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -61.57 -14.33 29.12 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 40.0 m -118.77 1.43 11.58 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.223 1.409 . . . . 0.0 113.723 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mm -74.02 145.64 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.03 0.932 . . . . 0.0 110.409 174.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.61 143.94 57.42 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.347 1.059 . . . . 0.0 113.716 -174.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.8 -30.41 65.66 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -174.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.595 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.7 pt? -100.94 -8.24 22.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.642 1.177 . . . . 0.0 113.514 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -101.67 -10.1 20.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.058 1.343 . . . . 0.0 112.524 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.6 tp -56.34 -42.66 78.07 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.356 1.463 . . . . 0.0 112.097 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -68.1 -47.56 67.88 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.54 -33.75 76.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.663 0.785 . . . . 0.0 112.18 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -67.87 -56.19 10.06 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.825 1.25 . . . . 0.0 111.185 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -28.78 69.6 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.119 0.968 . . . . 0.0 112.476 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.26 -28.18 69.53 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.472 -0.767 . . . . 0.0 112.404 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -71.65 -32.74 68.25 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.333 -0.854 . . . . 0.0 111.486 174.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 39.6 mt -65.99 -50.63 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.31 -44.24 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.598 0.759 . . . . 0.0 111.106 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -64.04 -22.98 67.16 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.15 -33.46 18.2 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.687 1.131 . . . . 0.0 111.739 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.55 -41.14 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.717 1.207 . . . . 0.0 110.238 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.88 -6.53 6.1 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.748 1.619 . . . . 0.0 115.249 174.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -111.24 -2.78 15.61 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.781 1.632 . . . . 0.0 113.776 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -89.04 154.03 49.43 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.45 1.1 . . . . 0.0 110.866 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.45 123.24 8.52 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.675 2.25 . . . . 0.0 111.262 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 pp -155.28 169.59 23.84 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.789 1.636 . . . . 0.0 112.255 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 19.8 m -135.62 15.19 3.4 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.096 1.358 . . . . 0.0 112.975 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -151.08 156.37 40.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.212 1.805 . . . . 0.0 110.501 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -83.4 -2.71 56.45 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.425 0.69 . . . . 0.0 112.371 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 15.8 ttm -78.52 128.94 34.27 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.832 0.853 . . . . 0.0 110.793 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 35.7 mm -115.33 108.56 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.512 1.125 . . . . 0.0 110.922 -173.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.64 166.52 21.0 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.024 0.93 . . . . 0.0 113.331 175.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -54.24 -44.61 71.89 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.655 1.182 . . . . 0.0 111.971 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -59.95 -29.68 68.57 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.387 1.075 . . . . 0.0 113.114 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.06 -44.03 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.396 1.079 . . . . 0.0 110.688 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -63.61 -40.6 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.579 0.752 . . . . 0.0 111.923 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -58.76 -15.65 13.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.5 1.52 . . . . 0.0 113.985 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -104.63 -35.63 7.75 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.833 1.653 . . . . 0.0 111.712 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.78 84.27 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.16 -0.963 . . . . 0.0 113.37 174.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.84 -31.68 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.133 0.973 . . . . 0.0 112.553 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -69.67 -28.08 65.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.9 1.28 . . . . 0.0 112.847 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -92.9 -8.75 42.44 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.304 1.442 . . . . 0.0 112.777 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 59.2 p -125.76 5.73 7.42 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -174.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.339 1.856 . . . . 0.0 112.724 177.313 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.86 0 CA-C-O 122.957 1.36 . . . . 0.0 111.934 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.61 150.23 58.02 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.183 1.393 . . . . 0.0 112.801 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.61 -20.23 47.26 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 123.309 2.673 . . . . 0.0 113.467 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.88 -30.78 62.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.275 1.03 . . . . 0.0 112.538 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -60.84 -26.84 67.65 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.826 1.65 . . . . 0.0 114.038 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -113.74 -21.78 10.54 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.127 1.371 . . . . 0.0 113.59 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.16 -36.05 69.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.498 1.119 . . . . 0.0 111.704 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 45.1 m -60.29 -26.33 66.42 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -59.31 -47.21 86.24 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.752 1.221 . . . . 0.0 111.333 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.41 -44.77 34.54 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.931 1.292 . . . . 0.0 111.994 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -44.77 95.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.934 0.894 . . . . 0.0 112.34 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 24.6 m -65.81 -32.51 74.08 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.443 -0.786 . . . . 0.0 112.695 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.99 95.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.313 0.645 . . . . 0.0 112.074 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.3 -45.0 86.13 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.689 -0.632 . . . . 0.0 110.237 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.82 -48.65 80.84 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.88 -25.46 66.41 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.032 0.833 . . . . 0.0 113.125 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -80.59 -10.79 59.72 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.973 1.309 . . . . 0.0 113.048 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.71 1.3 30.63 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.827 1.68 . . . . 0.0 115.424 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.53 168.98 10.36 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.932 1.293 . . . . 0.0 112.572 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.7 mt -128.8 89.0 2.81 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.23 1.812 . . . . 0.0 109.649 175.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.71 116.52 6.35 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.646 1.178 . . . . 0.0 111.001 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -61.25 159.24 12.55 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.533 1.533 . . . . 0.0 113.463 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.59 -29.79 76.13 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 123.586 0.612 . . . . 0.0 113.7 174.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -73.6 -21.44 60.33 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.216 1.008 . . . . 0.0 112.557 173.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.13 -39.74 11.42 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.747 1.219 . . . . 0.0 112.566 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 8.9 tp -59.53 -39.2 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.293 -0.879 . . . . 0.0 111.633 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -70.53 -10.61 59.66 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -88.91 -57.47 2.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.776 0.83 . . . . 0.0 110.601 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.266 1.7 pp -73.07 -16.15 61.49 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -175.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 13.7 t -58.97 -33.34 70.55 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.386 1.074 . . . . 0.0 113.09 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -99.84 -17.34 17.69 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.834 1.254 . . . . 0.0 113.373 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.19 -17.28 60.41 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.152 -0.967 . . . . 0.0 112.785 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 79.1 mt -123.94 8.9 8.72 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.548 1.939 . . . . 0.0 112.677 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -61.98 -25.67 67.76 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.045 -1.035 . . . . 0.0 113.444 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -88.16 1.78 53.6 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.813 1.645 . . . . 0.0 113.738 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -103.32 142.09 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.465 1.506 . . . . 0.0 111.052 -176.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 35.7 m -53.06 132.5 38.04 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 127.207 2.203 . . . . 0.0 113.232 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -56.35 -29.91 61.97 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.96 -9.26 26.46 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.187 1.395 . . . . 0.0 113.703 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.96 -9.15 20.92 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.337 1.455 . . . . 0.0 111.457 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.46 -39.52 80.16 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.578 1.951 . . . . 0.0 112.166 -176.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.44 -43.52 80.93 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 176.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.55 -35.22 77.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.717 0.807 . . . . 0.0 112.456 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -67.55 -53.83 25.06 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.024 1.33 . . . . 0.0 111.702 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.99 -20.12 65.67 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.581 1.152 . . . . 0.0 112.944 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.03 -32.94 70.19 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.584 0.753 . . . . 0.0 110.678 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.42 -31.49 67.29 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.11 0.964 . . . . 0.0 111.614 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 57.0 mt -67.69 -50.61 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.143 0.977 . . . . 0.0 108.444 174.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 89.8 mt -58.71 -41.58 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.398 -0.814 . . . . 0.0 111.135 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.42 -22.96 66.83 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.046 -1.034 . . . . 0.0 113.595 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.75 -31.49 20.91 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.277 1.031 . . . . 0.0 112.625 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.79 -39.7 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.735 1.214 . . . . 0.0 110.346 173.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -61.63 -17.97 57.51 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 175.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -87.05 -9.71 54.8 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -95.79 151.28 38.31 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.593 1.157 . . . . 0.0 111.453 -175.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.54 128.96 13.17 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.633 2.222 . . . . 0.0 111.391 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 pp -157.16 168.0 28.72 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.783 1.633 . . . . 0.0 111.59 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 23.3 m -130.7 4.67 4.61 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.506 1.122 . . . . 0.0 113.589 -174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 86.0 p -151.65 171.22 17.99 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.531 1.533 . . . . 0.0 111.263 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -82.67 0.9 41.12 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 21.5 ttm -83.31 129.41 35.0 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.151 -0.968 . . . . 0.0 111.032 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.52 109.34 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.735 1.214 . . . . 0.0 110.947 -172.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -82.17 168.72 17.4 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.895 1.278 . . . . 0.0 113.763 175.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -52.42 -49.65 64.09 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.364 1.065 . . . . 0.0 111.625 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -57.76 -30.37 65.57 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.346 1.058 . . . . 0.0 112.818 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.2 -45.34 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.739 1.216 . . . . 0.0 111.068 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.36 -39.63 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.895 0.878 . . . . 0.0 112.227 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -60.0 -20.57 58.46 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.168 1.787 . . . . 0.0 113.262 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.65 -34.8 8.93 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.129 1.772 . . . . 0.0 112.799 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.01 79.56 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.49 1.116 . . . . 0.0 113.206 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.52 -32.68 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.18 -0.95 . . . . 0.0 112.63 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -64.2 -28.07 69.49 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.406 1.482 . . . . 0.0 112.625 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -84.06 -35.71 23.58 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.839 1.656 . . . . 0.0 111.209 174.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 23.7 p -68.55 -19.59 64.5 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.957 1.703 . . . . 0.0 112.211 -173.151 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 77.1 mtp . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.19 159.1 40.45 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 127.019 2.127 . . . . 0.0 109.81 174.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -60.43 -24.54 78.14 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.533 2.155 . . . . 0.0 112.973 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.46 -23.81 67.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 113.38 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -84.8 -44.55 13.17 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.038 0.935 . . . . 0.0 110.998 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.8 -32.59 71.93 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.449 1.1 . . . . 0.0 112.279 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -53.33 -59.13 4.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.915 1.686 . . . . 0.0 111.671 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 43.3 m -67.7 -34.34 76.68 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -60.26 -42.15 94.72 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.831 1.252 . . . . 0.0 111.632 174.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.79 -48.89 51.83 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.4 1.48 . . . . 0.0 112.697 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -38.44 71.99 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.619 1.168 . . . . 0.0 112.49 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -56.07 -34.58 66.09 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.01 -44.57 65.62 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.059 -1.026 . . . . 0.0 112.451 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -59.95 -43.59 94.93 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.641 -0.662 . . . . 0.0 110.526 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -58.13 -44.66 87.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.194 1.798 . . . . 0.0 112.876 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 44.9 mt -61.76 -37.24 83.56 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.947 0.899 . . . . 0.0 113.152 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -76.74 -12.88 60.05 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.53 10.17 36.41 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.306 1.431 . . . . 0.0 114.932 174.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -87.08 161.56 18.07 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.673 1.189 . . . . 0.0 112.489 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -126.99 57.23 1.47 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.055 2.142 . . . . 0.0 109.646 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 48.6 tp -48.94 117.62 2.18 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.5 1.92 . . . . 0.0 112.496 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -59.41 156.53 12.78 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.394 1.878 . . . . 0.0 112.88 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.77 -43.37 96.51 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 123.872 0.749 . . . . 0.0 113.844 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.33 -26.34 66.5 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.88 1.272 . . . . 0.0 113.865 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.71 -38.9 11.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.118 1.367 . . . . 0.0 112.103 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -43.82 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.43 0.692 . . . . 0.0 109.9 176.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -65.74 -35.01 79.51 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.893 0.77 . . . . 0.0 112.635 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.97 -53.91 53.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.714 0.806 . . . . 0.0 111.296 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.256 3.1 pp -75.48 -24.24 56.9 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 44.5 m -63.85 -41.98 97.69 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.848 0.749 . . . . 0.0 111.128 174.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.47 -38.53 65.41 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.361 0.665 . . . . 0.0 112.512 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.03 -18.96 65.69 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -121.67 13.31 10.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.299 1.84 . . . . 0.0 112.045 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -61.78 -20.77 63.94 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.705 1.202 . . . . 0.0 113.684 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.2 p -105.34 -5.62 20.32 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.806 1.642 . . . . 0.0 114.492 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 2.4 mm -72.8 141.71 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.354 1.062 . . . . 0.0 110.669 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -61.32 132.87 54.95 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.21 1.404 . . . . 0.0 112.3 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.5 -34.06 68.69 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -173.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.589 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -86.28 -14.63 43.15 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.306 1.043 . . . . 0.0 113.345 178.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -95.52 -18.3 20.75 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.205 1.402 . . . . 0.0 111.915 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 59.5 tp -56.4 -39.8 73.59 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 126.571 1.948 . . . . 0.0 111.825 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.39 -43.65 93.79 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.49 -37.6 68.4 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.87 0.868 . . . . 0.0 112.624 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -62.41 -57.17 12.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.652 1.181 . . . . 0.0 111.416 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tt -68.71 -20.96 64.43 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.491 1.116 . . . . 0.0 112.937 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -60.55 -30.63 69.89 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.287 -0.883 . . . . 0.0 110.649 173.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.85 -36.18 79.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.544 0.737 . . . . 0.0 111.335 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.95 -47.88 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.125 0.97 . . . . 0.0 109.287 174.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 90.3 mt -58.31 -44.49 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.926 0.785 . . . . 0.0 110.925 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -66.6 -20.62 66.05 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 120.776 -1.202 . . . . 0.0 113.6 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.4 -18.27 28.71 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.059 1.344 . . . . 0.0 112.895 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.69 -40.58 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.344 1.458 . . . . 0.0 108.615 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.24 -28.77 69.96 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -78.42 -12.71 60.02 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -85.4 151.27 56.0 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 124.418 1.087 . . . . 0.0 110.74 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.27 122.69 8.57 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.389 2.06 . . . . 0.0 111.38 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 pp -152.58 169.6 22.27 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.789 1.636 . . . . 0.0 111.878 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 81.8 p -138.08 7.85 2.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.01 1.324 . . . . 0.0 113.821 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 54.7 m -157.03 160.41 38.94 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.849 1.66 . . . . 0.0 111.47 175.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -84.19 3.28 35.86 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.902 1.281 . . . . 0.0 113.92 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 9.5 ttm -89.3 81.72 6.62 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.718 1.207 . . . . 0.0 111.416 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 31.4 mm -65.71 139.78 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.466 1.106 . . . . 0.0 111.017 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.15 165.43 14.78 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.374 1.47 . . . . 0.0 112.873 -174.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -54.19 -47.72 71.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.499 0.72 . . . . 0.0 111.01 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 8.1 m -59.66 -25.61 64.86 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.026 0.93 . . . . 0.0 113.322 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 97.7 t -81.46 -43.76 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.671 1.189 . . . . 0.0 111.38 174.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.34 -38.89 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 121.318 -0.864 . . . . 0.0 112.55 176.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -60.88 -18.95 59.26 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.253 1.821 . . . . 0.0 113.201 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -102.17 -31.03 10.78 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.148 1.779 . . . . 0.0 112.009 173.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.8 -38.25 88.48 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.959 -1.088 . . . . 0.0 113.094 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.81 -29.97 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.823 0.849 . . . . 0.0 112.672 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -71.84 -20.56 61.8 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.191 1.397 . . . . 0.0 112.899 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -99.91 -8.94 23.39 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.295 1.838 . . . . 0.0 112.866 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 61.6 p -128.45 7.68 5.86 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -173.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.158 1.783 . . . . 0.0 112.459 176.06 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 121.629 0.728 . . . . 0.0 111.566 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.02 160.86 28.92 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 126.496 1.918 . . . . 0.0 110.238 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -48.14 -43.0 32.18 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 124.029 3.153 . . . . 0.0 115.115 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.11 -39.57 93.3 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.317 -0.865 . . . . 0.0 112.746 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -70.11 -37.8 75.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.838 0.855 . . . . 0.0 111.984 175.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.71 -23.37 65.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.907 1.283 . . . . 0.0 112.99 175.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -93.68 -22.09 18.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.984 1.713 . . . . 0.0 113.763 176.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 70.8 m -75.3 33.93 0.11 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.297 1.839 . . . . 0.0 114.554 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -57.32 -46.28 83.39 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.35 1.46 . . . . 0.0 113.125 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.88 74.87 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.88 -39.67 94.74 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.406 -0.809 . . . . 0.0 111.184 174.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -61.53 -35.8 78.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.813 0.845 . . . . 0.0 112.558 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.27 -46.06 81.97 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.017 -1.052 . . . . 0.0 112.513 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -60.77 -43.91 97.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.037 0.935 . . . . 0.0 110.915 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -58.24 -44.8 88.43 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.382 1.873 . . . . 0.0 113.02 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.4 -32.87 72.82 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.132 0.973 . . . . 0.0 113.032 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.41 -9.39 59.47 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 174.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.87 5.26 41.62 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.68 1.609 . . . . 0.0 115.452 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.52 164.73 15.29 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.516 1.158 . . . . 0.0 113.158 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.78 77.82 1.78 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.541 2.336 . . . . 0.0 109.264 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.04 125.62 24.62 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.344 1.058 . . . . 0.0 112.004 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -65.89 159.64 25.08 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.654 1.182 . . . . 0.0 112.955 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.5 -24.94 73.89 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.234 0.921 . . . . 0.0 114.996 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -81.13 -31.59 34.14 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.765 1.282 . . . . 0.0 110.774 173.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.31 -40.64 58.29 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.585 1.154 . . . . 0.0 112.159 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.63 -44.43 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 O-C-N 121.922 -0.486 . . . . 0.0 110.538 173.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -60.54 -40.62 92.19 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.506 1.522 . . . . 0.0 112.17 176.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -60.2 -54.17 49.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.592 0.757 . . . . 0.0 111.979 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.56 -21.88 57.49 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 16.3 m -58.72 -36.77 74.82 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.342 1.057 . . . . 0.0 111.352 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -75.25 -28.44 59.84 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.03 -38.51 61.46 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.991 0.916 . . . . 0.0 112.528 176.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.76 -7.09 59.28 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.996 1.318 . . . . 0.0 113.308 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -57.07 -28.59 62.72 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.3 p -109.34 -1.49 18.46 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.569 1.547 . . . . 0.0 113.807 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mm -77.67 143.5 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.559 1.144 . . . . 0.0 111.415 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m -54.68 128.28 31.89 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.256 1.822 . . . . 0.0 112.378 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.55 -34.3 73.94 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -175.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.573 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.4 pt? -78.74 -3.92 46.68 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -116.02 -1.66 12.45 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.211 1.804 . . . . 0.0 112.424 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 tp -53.95 -46.64 71.63 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.651 1.58 . . . . 0.0 111.715 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.04 -43.66 91.61 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.248 0.619 . . . . 0.0 112.568 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.42 -35.23 70.91 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -69.16 -51.71 35.46 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.317 1.047 . . . . 0.0 112.457 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . 0.416 HD12 HD12 ' M' ' 72' ' ' ILE . 40.8 tp -62.8 -24.71 67.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.239 1.016 . . . . 0.0 112.453 -179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.9 -35.66 77.22 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.736 0.815 . . . . 0.0 111.325 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -68.62 -31.86 71.32 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.045 0.938 . . . . 0.0 111.46 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . 0.416 HD12 HD12 ' M' ' 69' ' ' LEU . 62.7 mt -70.81 -52.78 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 173.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 78.6 mt -57.93 -41.9 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.383 0.673 . . . . 0.0 111.457 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.68 -25.91 67.69 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 174.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.18 -21.32 22.24 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.66 1.184 . . . . 0.0 113.011 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -75.13 -41.32 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.41 1.084 . . . . 0.0 108.904 171.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.21 -13.12 57.52 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.867 1.667 . . . . 0.0 115.099 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -108.05 0.18 21.59 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -85.42 145.39 42.25 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.233 1.013 . . . . 0.0 111.102 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.12 104.36 1.83 Allowed 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.278 2.652 . . . . 0.0 111.931 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 pp -139.31 -2.94 1.58 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 6.7 t 49.42 15.64 0.14 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.054 2.142 . . . . 0.0 116.559 174.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -144.23 -170.24 3.31 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.74 1.616 . . . . 0.0 111.715 -174.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -122.96 -2.64 8.69 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.604 1.562 . . . . 0.0 112.424 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 19.4 ttm -83.2 127.36 33.56 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 121.194 -0.942 . . . . 0.0 109.391 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 34.8 mm -113.35 108.49 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.13 0.972 . . . . 0.0 111.686 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.73 165.23 23.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.825 1.25 . . . . 0.0 113.369 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -56.78 -43.42 80.84 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.326 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t -56.54 -35.45 68.11 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.838 0.744 . . . . 0.0 112.798 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.59 -43.42 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.216 1.006 . . . . 0.0 111.576 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 48.3 t -69.76 -38.68 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.19 0.996 . . . . 0.0 112.308 176.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -59.24 -22.43 61.09 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.9 1.68 . . . . 0.0 112.991 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.03 -32.69 10.49 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.862 1.665 . . . . 0.0 112.452 173.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.8 86.14 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.019 -1.051 . . . . 0.0 113.505 175.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.23 -30.3 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.538 0.735 . . . . 0.0 112.647 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -64.13 -22.97 67.15 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.777 1.631 . . . . 0.0 113.037 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -90.05 -31.25 17.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.88 1.272 . . . . 0.0 111.46 175.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 25.0 p -74.16 -18.62 60.76 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.66 1.584 . . . . 0.0 112.815 -172.883 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 46.7 ttp . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 120.359 0.123 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.74 130.26 36.98 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 124.703 1.201 . . . . 0.0 112.457 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -48.71 -37.36 34.96 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 124.577 3.518 . . . . 0.0 115.373 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.89 -21.25 60.79 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -88.18 -9.65 52.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.367 1.467 . . . . 0.0 113.515 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 pp -133.7 -12.01 2.67 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 -174.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -67.87 -51.78 44.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.042 1.337 . . . . 0.0 112.046 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 27.7 m 42.39 25.62 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 128.871 2.868 . . . . 0.0 118.134 174.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -61.98 -47.38 85.07 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 120.827 -1.17 . . . . 0.0 112.461 -175.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.79 -37.85 64.83 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.97 -40.64 89.76 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.602 -0.686 . . . . 0.0 111.55 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 49.2 m -62.41 -32.64 73.5 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.876 0.871 . . . . 0.0 113.229 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.18 77.96 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.536 -0.727 . . . . 0.0 112.316 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.55 -42.69 86.75 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.261 0.624 . . . . 0.0 110.992 173.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -55.02 -50.68 68.45 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.357 1.863 . . . . 0.0 113.188 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.74 -24.86 64.51 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -69.45 -27.03 64.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.836 1.255 . . . . 0.0 112.905 173.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.91 -3.82 19.12 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 126.289 1.9 . . . . 0.0 114.079 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.06 164.42 14.5 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.377 1.471 . . . . 0.0 112.377 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.8 mt -129.96 81.65 2.02 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.478 1.911 . . . . 0.0 109.666 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 tp -62.11 120.04 10.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.929 1.692 . . . . 0.0 111.295 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -72.49 165.24 25.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.372 1.069 . . . . 0.0 112.816 -176.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.95 -24.62 73.1 Favored Glycine 0 CA--C 1.539 1.58 0 N-CA-C 115.647 1.019 . . . . 0.0 115.647 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -85.85 -30.35 23.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.987 1.394 . . . . 0.0 110.182 172.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.15 72.5 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.346 1.058 . . . . 0.0 112.116 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 tp -57.81 -45.99 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.753 0.821 . . . . 0.0 110.875 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -60.94 -43.56 98.5 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.104 1.362 . . . . 0.0 112.224 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -58.11 -53.09 62.2 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.849 0.86 . . . . 0.0 111.661 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.281 4.3 pp -73.7 -26.5 60.74 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.7 m -62.67 -40.48 97.21 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.269 0.94 . . . . 0.0 110.683 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -72.17 -33.98 68.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.527 0.731 . . . . 0.0 112.512 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.3 -29.23 67.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.92 11.44 33.58 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.48 1.912 . . . . 0.0 112.469 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -57.86 -18.96 25.69 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -174.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -123.04 7.12 9.23 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.3 1.44 . . . . 0.0 113.353 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -70.42 142.66 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.913 0.885 . . . . 0.0 110.664 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 37.3 m -52.88 132.71 37.48 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.363 1.865 . . . . 0.0 113.076 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -57.57 -29.16 64.2 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.25 3.23 51.44 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.395 1.478 . . . . 0.0 113.462 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -120.12 1.0 10.82 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.149 1.779 . . . . 0.0 112.303 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 67.7 tp -56.62 -44.59 81.35 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.136 1.374 . . . . 0.0 111.523 -177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.03 -44.37 76.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.94 0.496 . . . . 0.0 112.093 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.88 -34.2 77.59 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.869 0.868 . . . . 0.0 112.744 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -69.65 -54.14 15.33 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.762 1.225 . . . . 0.0 111.857 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.87 -26.08 67.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.948 1.299 . . . . 0.0 112.847 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -58.94 -34.72 72.07 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.279 1.032 . . . . 0.0 111.15 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.91 -32.35 69.26 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.696 0.798 . . . . 0.0 111.558 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.65 -52.45 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.185 0.994 . . . . 0.0 108.583 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 81.1 mt -56.85 -45.49 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.851 0.75 . . . . 0.0 111.359 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -63.3 -28.03 69.74 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.83 -33.27 46.21 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.276 0.944 . . . . 0.0 111.37 175.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 74.2 t -66.4 -41.3 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.404 1.081 . . . . 0.0 110.505 173.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.21 -21.87 62.3 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -91.96 -12.42 33.41 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.831 1.252 . . . . 0.0 114.269 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.37 150.38 82.51 Favored Pre-proline 0 N--CA 1.473 0.719 0 CA-C-N 119.236 0.925 . . . . 0.0 110.8 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -87.94 27.45 0.54 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.627 2.885 . . . . 0.0 115.359 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 pp -48.16 -20.1 0.33 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 128.538 2.735 . . . . 0.0 116.703 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 20.6 m 52.18 16.63 0.59 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.683 1.993 . . . . 0.0 116.27 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 13.9 t -142.32 -163.49 1.61 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.736 2.014 . . . . 0.0 110.455 -177.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -128.69 4.29 5.51 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.469 1.108 . . . . 0.0 112.834 173.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 64.1 mmm -84.65 125.7 32.71 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.102 0.961 . . . . 0.0 109.665 174.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 29.5 mm -113.76 91.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.977 0.911 . . . . 0.0 109.472 -174.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -73.67 168.01 20.21 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.09 0.956 . . . . 0.0 113.061 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -49.75 -49.06 49.66 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.911 0.885 . . . . 0.0 111.626 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.7 m -57.6 -30.1 65.04 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.361 1.065 . . . . 0.0 113.113 -175.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 99.5 t -74.52 -43.85 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.72 1.208 . . . . 0.0 111.218 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.06 -37.78 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.097 0.959 . . . . 0.0 111.974 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -60.38 -19.85 57.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.181 1.792 . . . . 0.0 112.998 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.63 -27.6 12.98 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.358 1.863 . . . . 0.0 112.448 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.79 -36.37 67.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.267 1.027 . . . . 0.0 113.359 174.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.55 -25.77 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.243 1.017 . . . . 0.0 113.303 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -64.8 -13.39 55.37 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.498 1.519 . . . . 0.0 113.145 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -112.6 -23.79 10.04 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.307 1.443 . . . . 0.0 113.054 174.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 28.8 p -80.51 -15.52 56.51 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.546 1.538 . . . . 0.0 113.048 -172.617 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 42.0 mtp . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 121.795 0.807 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.41 160.06 58.48 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 126.558 1.943 . . . . 0.0 110.832 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -49.22 -40.79 42.8 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 124.741 3.627 . . . . 0.0 115.882 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.21 -37.83 72.05 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.312 -0.868 . . . . 0.0 112.376 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -72.03 -44.4 63.46 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.122 0.969 . . . . 0.0 112.224 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.83 -28.37 67.5 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -74.01 -39.76 63.37 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.274 1.029 . . . . 0.0 111.25 173.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 38.7 m -74.71 -9.73 58.84 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.211 1.405 . . . . 0.0 114.333 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 39.7 tpt85 -56.07 -32.64 64.29 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.506 1.522 . . . . 0.0 114.75 -174.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.63 -42.96 33.06 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.091 0.956 . . . . 0.0 112.767 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.64 -43.62 96.27 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.737 0.815 . . . . 0.0 111.808 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 90.5 p -60.81 -35.68 77.1 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.7 96.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.936 0.789 . . . . 0.0 112.958 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -65.63 -44.58 86.03 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.2 0.6 . . . . 0.0 110.803 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.26 -37.11 84.18 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.71 -34.48 75.87 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.262 1.025 . . . . 0.0 112.278 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -82.97 -8.46 59.56 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.597 1.159 . . . . 0.0 113.399 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.91 1.55 48.91 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.999 1.762 . . . . 0.0 114.935 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.54 164.79 17.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.675 1.238 . . . . 0.0 112.875 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -129.02 85.25 2.3 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.787 2.035 . . . . 0.0 109.735 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 25.9 tp -64.47 123.55 19.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.828 1.251 . . . . 0.0 111.502 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -64.55 160.66 19.03 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.842 1.257 . . . . 0.0 113.17 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.75 -24.06 72.63 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.205 0.907 . . . . 0.0 114.809 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -82.35 -30.65 30.24 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.499 1.15 . . . . 0.0 110.796 173.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.53 -42.21 53.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.84 1.256 . . . . 0.0 112.526 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.5 tp -58.47 -44.01 88.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.603 0.761 . . . . 0.0 110.69 174.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.21 -42.89 99.38 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.16 1.384 . . . . 0.0 112.089 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.48 -53.87 53.14 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.321 0.648 . . . . 0.0 111.856 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.286 3.6 pp -72.87 -23.01 60.68 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 18.4 m -62.89 -40.5 97.74 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.209 -0.932 . . . . 0.0 110.422 173.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -74.13 -34.7 63.96 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.529 0.732 . . . . 0.0 112.222 174.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.55 -16.48 63.43 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 79.5 mt -121.86 12.62 10.56 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.616 1.967 . . . . 0.0 112.195 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -58.54 -17.66 23.3 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.8 p -126.84 4.23 6.63 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.914 1.686 . . . . 0.0 113.963 -177.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 mm -68.38 142.32 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.927 0.891 . . . . 0.0 111.158 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 28.7 m -54.85 127.33 28.1 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.876 1.671 . . . . 0.0 112.346 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -57.89 -36.72 72.79 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -174.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.614 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -80.67 -5.72 57.38 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.737 1.215 . . . . 0.0 114.046 177.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -111.65 -4.91 14.57 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.258 1.823 . . . . 0.0 112.672 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.29 -42.7 82.23 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.42 1.488 . . . . 0.0 111.978 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.71 -50.44 62.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 122.467 0.307 . . . . 0.0 111.652 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.95 -33.37 74.16 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.668 0.787 . . . . 0.0 112.536 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -69.67 -57.93 4.54 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.684 1.194 . . . . 0.0 111.491 174.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.81 -23.8 67.5 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.101 0.96 . . . . 0.0 112.542 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.2 -29.33 70.3 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.245 -0.909 . . . . 0.0 112.089 174.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -70.07 -34.8 73.63 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.378 -0.826 . . . . 0.0 111.209 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mt -63.78 -52.02 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 98.1 mt -54.94 -47.59 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.671 0.788 . . . . 0.0 110.963 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -61.56 -26.09 67.73 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.18 -24.96 25.93 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.059 0.845 . . . . 0.0 112.368 174.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.98 -38.93 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.886 1.274 . . . . 0.0 110.083 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.2 -15.39 33.74 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -114.94 3.27 14.49 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -176.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -82.69 157.09 67.56 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 124.26 1.024 . . . . 0.0 111.015 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.36 115.83 4.48 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.399 2.066 . . . . 0.0 111.579 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.6 169.07 24.14 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.056 1.742 . . . . 0.0 111.439 176.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 3.2 t -133.42 10.19 4.06 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.826 1.25 . . . . 0.0 113.186 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -150.73 170.78 18.41 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.569 1.548 . . . . 0.0 111.144 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -85.87 0.95 51.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.23 1.012 . . . . 0.0 113.352 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.1 ttm -84.31 127.58 34.06 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.151 -0.968 . . . . 0.0 111.174 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 33.8 mm -112.83 104.83 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.495 1.118 . . . . 0.0 110.772 -173.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.63 167.97 20.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.013 0.925 . . . . 0.0 113.362 174.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -53.77 -47.5 70.67 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.753 0.821 . . . . 0.0 111.626 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.6 m -57.92 -31.71 67.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.222 1.009 . . . . 0.0 113.037 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.8 t -71.35 -43.55 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.866 1.266 . . . . 0.0 111.317 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 51.9 t -67.42 -38.97 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 O-C-N 121.125 -0.985 . . . . 0.0 111.598 174.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -60.42 -19.97 58.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.278 1.831 . . . . 0.0 112.866 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.61 -32.99 10.81 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.225 1.81 . . . . 0.0 112.326 173.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.31 84.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.474 1.11 . . . . 0.0 113.64 174.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.65 -27.81 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.045 0.938 . . . . 0.0 112.826 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -68.32 -19.74 64.69 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.385 1.474 . . . . 0.0 113.291 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -112.43 -7.8 13.92 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.214 1.406 . . . . 0.0 113.234 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 59.1 p -119.87 2.64 11.06 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.663 1.985 . . . . 0.0 112.177 174.735 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tpt . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.13 164.37 20.97 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 126.005 1.722 . . . . 0.0 111.003 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.44 -33.19 45.82 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 124.011 3.141 . . . . 0.0 115.296 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.12 -33.2 74.01 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.116 -0.99 . . . . 0.0 112.572 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -73.51 -35.3 65.58 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.831 0.852 . . . . 0.0 111.653 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.59 -42.21 95.73 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.195 0.907 . . . . 0.0 111.374 173.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.49 -40.24 95.31 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.291 1.037 . . . . 0.0 111.834 174.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 49.7 m -66.71 -40.64 88.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.065 0.946 . . . . 0.0 112.984 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -56.47 -35.63 68.16 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.35 1.46 . . . . 0.0 112.971 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.76 98.1 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 175.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.15 -39.16 82.71 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.796 -0.565 . . . . 0.0 111.336 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 44.9 m -58.36 -41.27 84.33 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.72 0.808 . . . . 0.0 113.084 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.05 99.64 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.442 -0.786 . . . . 0.0 112.496 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.17 -37.54 78.23 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.815 0.846 . . . . 0.0 112.208 174.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -62.29 -39.46 93.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.624 1.57 . . . . 0.0 112.916 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 68.6 mt -60.37 -28.65 68.37 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.269 1.028 . . . . 0.0 112.935 174.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.93 -8.46 49.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.232 1.413 . . . . 0.0 113.431 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.06 7.3 58.6 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.604 1.573 . . . . 0.0 115.468 174.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.17 165.83 21.19 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.951 1.375 . . . . 0.0 112.878 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 90.2 mt -126.4 76.94 1.66 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.316 2.246 . . . . 0.0 109.571 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.63 117.12 4.94 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.691 1.196 . . . . 0.0 110.267 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -62.59 161.3 12.35 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.994 0.918 . . . . 0.0 113.136 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.99 -36.34 92.73 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 123.99 0.805 . . . . 0.0 113.437 174.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.96 -31.08 68.62 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.215 -1.168 . . . . 0.0 111.755 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.64 -44.06 29.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.741 1.216 . . . . 0.0 112.812 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -41.93 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.911 0.778 . . . . 0.0 109.678 174.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -59.36 -34.52 72.49 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.671 1.188 . . . . 0.0 112.621 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.92 -53.14 22.62 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.903 -0.498 . . . . 0.0 112.027 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.257 3.8 pp -76.2 -21.95 55.85 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -31.23 72.34 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.999 1.272 . . . . 0.0 111.382 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -80.16 -32.74 38.8 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.245 1.018 . . . . 0.0 112.17 174.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.72 -15.09 63.09 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.906 0.883 . . . . 0.0 112.906 173.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 80.4 mt -120.84 12.76 11.36 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.133 2.173 . . . . 0.0 112.378 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -57.33 -30.19 64.59 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.282 1.433 . . . . 0.0 113.992 -174.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 78.6 p -116.07 1.9 13.32 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.648 1.579 . . . . 0.0 113.835 -175.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.5 139.51 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.084 0.954 . . . . 0.0 111.252 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 21.4 m -54.35 127.29 26.66 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.014 1.725 . . . . 0.0 112.568 175.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.46 -35.8 72.71 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.59 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.6 pt? -79.52 -6.34 56.79 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.856 1.262 . . . . 0.0 114.144 175.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -112.93 0.02 14.97 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.615 1.966 . . . . 0.0 112.464 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -56.25 -47.39 78.61 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.07 1.348 . . . . 0.0 111.432 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.16 -40.87 74.48 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.662 0.385 . . . . 0.0 111.863 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.21 -34.45 77.69 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.789 0.836 . . . . 0.0 112.93 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -73.65 -52.08 14.56 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.903 1.281 . . . . 0.0 111.362 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.42 -25.09 64.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.114 1.366 . . . . 0.0 113.236 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -55.28 -36.83 66.56 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.795 1.238 . . . . 0.0 111.792 174.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -67.1 -40.68 86.94 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.173 0.989 . . . . 0.0 111.45 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.57 -49.97 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.115 0.966 . . . . 0.0 109.481 176.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 80.4 mt -56.35 -46.37 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.288 0.635 . . . . 0.0 110.816 177.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -67.97 -8.59 38.43 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.33 -32.14 9.7 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.083 1.353 . . . . 0.0 111.764 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.79 -42.71 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.861 1.265 . . . . 0.0 109.978 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.33 -16.41 60.29 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -93.64 -10.88 33.04 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -80.57 148.59 66.3 Favored Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 124.3 1.04 . . . . 0.0 110.612 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.81 124.82 9.0 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.174 1.916 . . . . 0.0 111.227 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.25 167.47 30.28 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.316 1.446 . . . . 0.0 112.189 177.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 45.2 m -131.6 16.86 4.84 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.591 1.557 . . . . 0.0 112.623 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -150.17 158.2 43.91 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.549 1.94 . . . . 0.0 110.453 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -84.5 -2.2 56.92 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.835 0.854 . . . . 0.0 112.366 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 32.8 ttm -78.89 130.18 35.35 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 120.967 -1.083 . . . . 0.0 112.05 176.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.42 100.16 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.001 1.32 . . . . 0.0 108.709 -174.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.52 167.52 21.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.716 0.806 . . . . 0.0 112.976 174.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -52.92 -45.75 67.76 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.222 1.009 . . . . 0.0 111.841 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -60.16 -29.39 68.64 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.03 0.932 . . . . 0.0 113.373 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.34 -44.18 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 124.287 1.035 . . . . 0.0 110.659 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.85 -38.69 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.388 -0.82 . . . . 0.0 111.874 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -60.29 -16.28 32.98 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.959 1.303 . . . . 0.0 113.611 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.4 -28.71 12.44 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.398 1.479 . . . . 0.0 111.987 174.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.01 -37.24 69.82 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.514 1.126 . . . . 0.0 112.951 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.6 -26.8 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.549 1.14 . . . . 0.0 112.943 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -67.21 -18.59 65.31 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.728 1.611 . . . . 0.0 113.623 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -117.15 -5.75 11.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.376 1.47 . . . . 0.0 113.382 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 67.2 p -124.91 0.25 7.97 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -174.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.154 1.382 . . . . 0.0 113.764 176.84 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 10.5 tpt . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 120.771 0.32 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.15 158.44 66.91 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.94 1.296 . . . . 0.0 114.158 -173.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -52.5 -14.07 2.8 Favored 'Trans proline' 0 C--N 1.356 0.951 1 C-N-CA 126.4 4.733 . . . . 0.0 118.462 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -103.81 -16.55 15.37 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.366 0.984 . . . . 0.0 113.266 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -78.79 -28.67 44.64 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.734 0.814 . . . . 0.0 112.516 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.86 -24.1 62.44 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.523 0.729 . . . . 0.0 112.741 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -70.92 -32.14 68.98 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.043 1.337 . . . . 0.0 112.208 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 26.1 m -59.86 -12.23 7.11 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -52.95 -39.86 63.21 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.697 1.135 . . . . 0.0 112.303 174.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.14 55.72 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.38 -37.51 78.11 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.07 -1.019 . . . . 0.0 111.614 174.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -60.04 -39.78 87.09 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.106 0.963 . . . . 0.0 112.991 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.46 98.1 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.768 -1.208 . . . . 0.0 112.004 175.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -61.28 -44.51 97.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.683 0.793 . . . . 0.0 110.958 173.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -59.65 -43.18 94.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.212 1.405 . . . . 0.0 112.689 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.6 -32.15 73.1 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.557 1.143 . . . . 0.0 113.051 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -82.14 -8.64 59.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.997 0.919 . . . . 0.0 113.415 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.21 4.71 38.12 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.777 1.656 . . . . 0.0 115.156 174.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -90.04 165.43 14.03 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.837 1.318 . . . . 0.0 113.036 -174.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.45 73.02 1.29 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.189 2.196 . . . . 0.0 109.411 175.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 38.9 tp -58.79 121.33 10.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.87 1.268 . . . . 0.0 111.333 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -62.11 158.35 16.95 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.729 1.212 . . . . 0.0 113.045 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.66 -25.59 71.7 Favored Glycine 0 CA--C 1.541 1.716 0 C-N-CA 124.119 0.866 . . . . 0.0 114.619 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -78.42 -30.87 47.89 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.336 -1.096 . . . . 0.0 110.907 173.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.49 -39.3 24.97 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.559 1.544 . . . . 0.0 113.276 -176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 tp -56.78 -43.72 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.419 0.687 . . . . 0.0 110.853 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.17 -44.81 94.75 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.765 1.626 . . . . 0.0 112.308 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -59.39 -51.52 69.57 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.453 0.701 . . . . 0.0 111.813 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.288 4.0 pp -73.56 -24.95 60.17 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 176.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 21.5 m -63.1 -41.23 99.34 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.996 0.817 . . . . 0.0 110.251 173.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.06 -38.93 69.37 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.402 0.681 . . . . 0.0 112.369 174.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.6 -18.96 65.65 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.0 mt -116.18 9.86 14.77 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.218 1.807 . . . . 0.0 112.267 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -59.07 -27.26 65.36 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.659 1.183 . . . . 0.0 113.539 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 70.0 p -98.28 -7.61 28.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.679 1.592 . . . . 0.0 114.556 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mm -74.94 143.24 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.13 0.972 . . . . 0.0 111.195 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 57.8 m -54.25 129.45 35.21 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.061 1.745 . . . . 0.0 112.424 174.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.64 -33.72 73.22 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.331 1.052 . . . . 0.0 113.748 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.592 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.4 pt? -82.02 -4.14 56.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.371 1.469 . . . . 0.0 114.517 175.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -112.79 -6.34 13.85 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.005 1.322 . . . . 0.0 112.515 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 tp -52.43 -45.34 65.92 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.204 1.402 . . . . 0.0 111.27 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.73 -15.67 63.58 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -102.0 -36.53 8.56 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.67 1.188 . . . . 0.0 112.343 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -66.67 -51.16 59.26 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.705 1.202 . . . . 0.0 111.87 174.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.08 -25.76 68.25 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.692 1.197 . . . . 0.0 112.879 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.32 -34.21 70.35 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.08 0.952 . . . . 0.0 111.369 174.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -70.07 -37.72 75.55 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.275 1.03 . . . . 0.0 111.422 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 64.7 mt -64.19 -49.84 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.02 0.928 . . . . 0.0 109.269 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.65 -42.04 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.316 0.647 . . . . 0.0 111.128 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.48 -27.29 68.39 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.03 -1.044 . . . . 0.0 113.772 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.87 -31.18 31.65 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.23 0.923 . . . . 0.0 112.404 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.69 -40.98 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.503 1.121 . . . . 0.0 110.114 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.67 -17.72 63.23 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -81.1 -13.06 59.09 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -91.56 152.25 43.3 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.595 1.158 . . . . 0.0 111.356 -175.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 128.33 11.94 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 122.499 2.132 . . . . 0.0 111.344 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 pp -157.73 169.04 25.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.983 1.713 . . . . 0.0 111.788 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -135.48 7.98 3.34 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.847 1.259 . . . . 0.0 113.473 -175.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -151.16 169.61 21.46 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.857 1.663 . . . . 0.0 111.133 175.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -85.19 2.67 42.71 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 16.9 ttm -84.09 127.13 33.7 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.146 -0.971 . . . . 0.0 110.957 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 34.6 mm -115.07 110.78 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.354 1.062 . . . . 0.0 110.489 -173.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -86.51 166.41 15.49 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.588 1.155 . . . . 0.0 113.324 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -57.2 -41.49 79.49 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.977 0.911 . . . . 0.0 112.378 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -58.89 -35.14 72.51 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.971 0.908 . . . . 0.0 113.03 178.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.45 -43.91 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.934 0.894 . . . . 0.0 111.054 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.29 -37.79 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.551 -0.718 . . . . 0.0 112.085 175.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -58.57 -23.51 58.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.991 1.316 . . . . 0.0 112.843 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -97.71 -34.83 10.76 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.617 1.567 . . . . 0.0 112.723 173.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.37 -36.71 85.04 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.138 -0.976 . . . . 0.0 113.296 176.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.7 p -61.47 -31.0 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.669 0.788 . . . . 0.0 112.513 176.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -69.17 -26.32 64.8 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.149 1.38 . . . . 0.0 112.77 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -96.47 -9.13 30.41 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.889 1.676 . . . . 0.0 112.975 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 63.6 p -126.14 4.44 7.14 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -173.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.102 1.761 . . . . 0.0 112.237 177.39 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 40.7 ttp . . . . . 0 C--O 1.239 0.508 0 CA-C-O 121.593 0.711 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.5 144.67 42.08 Favored Pre-proline 0 CA--C 1.55 0.981 0 C-N-CA 125.699 1.6 . . . . 0.0 113.669 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -67.99 -30.98 31.65 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.059 2.506 . . . . 0.0 112.86 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.82 -39.47 93.63 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.172 0.989 . . . . 0.0 111.699 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -71.14 -34.79 71.34 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.836 1.254 . . . . 0.0 112.846 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 26.0 tp -71.12 -44.06 66.38 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.44 1.496 . . . . 0.0 111.173 175.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -65.42 -44.26 87.97 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.585 1.554 . . . . 0.0 112.736 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 82.7 p 50.27 2.29 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 119.33 3.085 . . . . 0.0 119.33 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -58.75 -35.61 73.02 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.062 1.301 . . . . 0.0 113.442 -175.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.76 -55.54 6.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.352 0.661 . . . . 0.0 112.311 175.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.01 -46.27 88.43 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -174.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 78.3 p -60.59 -35.29 75.73 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.0 85.77 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.899 0.772 . . . . 0.0 112.526 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -65.81 -42.33 90.79 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.424 0.69 . . . . 0.0 110.976 174.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.22 -35.93 78.55 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 176.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.18 -31.52 72.04 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.088 0.858 . . . . 0.0 112.487 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -84.84 -12.4 53.62 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.673 1.189 . . . . 0.0 113.371 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.89 1.75 52.17 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.83 1.681 . . . . 0.0 114.253 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.07 163.48 17.89 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.929 1.291 . . . . 0.0 112.51 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.0 mt -131.27 82.78 2.06 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.628 1.971 . . . . 0.0 109.937 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.16 121.95 11.95 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.632 1.573 . . . . 0.0 110.906 174.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -71.68 164.38 26.04 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.34 1.056 . . . . 0.0 112.851 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.53 -36.83 93.64 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.017 0.818 . . . . 0.0 114.115 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -71.46 -31.0 66.66 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.339 -1.095 . . . . 0.0 111.219 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.3 -44.7 35.75 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.768 1.227 . . . . 0.0 112.97 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -45.59 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 118.593 0.633 . . . . 0.0 109.315 174.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -58.11 -37.58 74.83 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.231 1.013 . . . . 0.0 113.096 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.25 -56.01 20.16 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 118.498 0.59 . . . . 0.0 112.342 174.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.273 3.8 pp -68.25 -22.9 64.74 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.4 m -59.61 -35.4 74.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.631 1.172 . . . . 0.0 111.542 173.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -77.39 -34.13 54.98 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.959 0.799 . . . . 0.0 112.545 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.52 -31.01 67.93 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -105.87 12.21 30.97 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.679 1.992 . . . . 0.0 111.663 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.34 -28.36 42.24 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.048 1.739 . . . . 0.0 114.94 -174.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 42.7 m -120.09 8.06 10.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.84 1.256 . . . . 0.0 113.339 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mm -70.39 142.51 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.198 0.999 . . . . 0.0 111.141 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 17.1 m -55.19 127.13 27.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.599 1.56 . . . . 0.0 111.787 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.02 -29.22 67.1 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -174.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.88 -32.01 51.64 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.368 1.067 . . . . 0.0 111.646 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -90.04 -6.44 55.54 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.139 2.176 . . . . 0.0 111.807 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 47.6 tp -61.97 -39.67 92.95 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.597 1.159 . . . . 0.0 112.513 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.35 -39.95 77.83 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 175.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -68.21 -37.06 80.47 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.069 0.947 . . . . 0.0 112.415 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -63.89 -53.02 56.96 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.147 1.379 . . . . 0.0 111.047 174.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.79 -20.98 66.67 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.74 0.816 . . . . 0.0 112.913 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.43 -26.76 68.88 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.941 -1.099 . . . . 0.0 111.68 174.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.05 -40.3 87.1 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.662 -0.649 . . . . 0.0 110.631 174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 48.9 mt -61.56 -50.29 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.532 1.133 . . . . 0.0 109.257 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 79.9 mt -54.01 -47.69 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.451 0.7 . . . . 0.0 111.208 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -64.37 -21.79 66.74 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.26 -15.0 21.01 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.135 1.374 . . . . 0.0 112.987 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 39.3 t -84.01 -40.23 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.67 1.588 . . . . 0.0 108.641 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.01 -23.36 66.55 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -87.68 -7.73 57.04 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -82.4 151.03 64.99 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.04 0.936 . . . . 0.0 110.641 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.42 118.92 5.54 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.308 2.006 . . . . 0.0 111.44 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.24 165.31 36.67 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.559 1.543 . . . . 0.0 112.129 176.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 51.8 m -132.83 17.71 4.22 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.774 1.63 . . . . 0.0 112.868 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 21.5 t -148.15 168.8 21.51 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.386 1.874 . . . . 0.0 110.512 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -102.5 2.77 36.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.256 1.022 . . . . 0.0 113.067 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 53.5 mmm -79.44 125.21 29.25 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.668 0.787 . . . . 0.0 110.157 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -108.88 92.99 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 123.866 0.867 . . . . 0.0 109.39 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.7 162.49 27.64 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.293 1.437 . . . . 0.0 113.246 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -53.89 -46.31 71.33 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.979 0.912 . . . . 0.0 112.287 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 12.4 m -62.76 -24.35 67.67 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.759 0.823 . . . . 0.0 113.064 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.94 -40.51 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.471 1.109 . . . . 0.0 110.538 173.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.45 -37.96 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.229 1.012 . . . . 0.0 111.675 174.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -59.59 -17.57 34.05 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.914 1.286 . . . . 0.0 113.914 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.23 -26.62 13.58 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.285 1.434 . . . . 0.0 112.373 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.56 -37.52 65.51 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.684 1.194 . . . . 0.0 113.365 174.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.65 -27.76 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.449 1.1 . . . . 0.0 112.862 175.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -65.82 -20.25 66.18 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.624 1.57 . . . . 0.0 113.29 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -111.35 -8.58 14.32 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.331 1.452 . . . . 0.0 112.367 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 15.1 m -101.08 -12.52 18.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.895 1.278 . . . . 0.0 114.431 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.359 1.864 . . . . 0.0 112.271 -175.879 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 1.1 tpt . . . . . 0 CA--C 1.542 0.654 0 CA-C-O 122.563 1.173 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.04 160.4 11.48 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 125.507 1.523 . . . . 0.0 112.899 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.4 -35.98 37.33 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 124.447 3.431 . . . . 0.0 115.797 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.7 -27.98 62.4 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -80.86 -46.31 15.48 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.919 0.888 . . . . 0.0 111.602 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.14 -19.45 64.81 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -174.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtp85 -73.49 -76.29 0.13 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.502 1.121 . . . . 0.0 111.261 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 59.1 m 38.14 34.08 0.06 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 127.845 2.458 . . . . 0.0 116.619 175.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -60.77 -50.58 72.89 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 120.459 -1.4 . . . . 0.0 113.735 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.29 82.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.194 0.998 . . . . 0.0 112.465 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -40.93 98.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.66 1.184 . . . . 0.0 111.945 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 60.9 m -61.01 -34.86 75.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.387 1.075 . . . . 0.0 112.853 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.47 85.48 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.283 0.947 . . . . 0.0 112.568 175.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.99 -45.87 93.03 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.627 -0.671 . . . . 0.0 110.359 174.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -56.63 -42.88 79.61 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.634 1.574 . . . . 0.0 113.523 174.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 49.4 mt -64.03 -36.27 83.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.318 1.047 . . . . 0.0 113.239 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -77.67 -14.42 59.63 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.12 5.44 25.06 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.502 1.525 . . . . 0.0 115.198 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -95.48 166.28 11.94 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.173 1.389 . . . . 0.0 112.645 -175.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.7 mt -128.18 76.25 1.68 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.554 1.942 . . . . 0.0 110.042 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 29.1 tp -56.53 116.4 3.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.329 1.451 . . . . 0.0 111.164 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -69.08 160.96 30.05 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.394 1.078 . . . . 0.0 112.699 -176.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.69 -28.0 69.18 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.097 0.855 . . . . 0.0 114.423 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.95 -27.34 60.15 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.559 -0.965 . . . . 0.0 112.099 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.05 -39.1 13.13 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.161 1.384 . . . . 0.0 112.555 -176.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.01 -41.61 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.75 0.704 . . . . 0.0 110.231 173.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -65.93 -34.37 77.97 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.112 1.365 . . . . 0.0 112.764 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -65.05 -54.32 32.0 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.412 0.551 . . . . 0.0 111.897 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.285 1.9 pp -76.82 -20.33 56.49 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -31.7 72.7 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 120.118 1.326 . . . . 0.0 111.773 173.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -77.68 -35.62 52.09 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.538 -0.726 . . . . 0.0 112.095 173.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.81 -16.23 64.01 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 82.4 mt -124.43 15.85 8.94 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.83 2.052 . . . . 0.0 111.804 -176.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -56.76 -28.76 61.74 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.69 1.596 . . . . 0.0 114.399 -174.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 35.6 m -116.22 5.55 13.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.761 1.224 . . . . 0.0 113.698 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -71.21 142.95 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.422 1.089 . . . . 0.0 110.769 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 23.4 m -54.61 128.78 33.89 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.272 1.829 . . . . 0.0 112.741 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.19 -34.29 73.42 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.615 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.5 pt? -80.42 -3.6 50.41 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.707 1.203 . . . . 0.0 113.554 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -119.05 -3.17 10.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.343 1.857 . . . . 0.0 112.996 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 tp -57.86 -45.66 85.96 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.389 0.995 . . . . 0.0 111.922 -174.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.84 -34.19 69.08 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.34 -39.48 78.14 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.563 0.745 . . . . 0.0 112.045 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -66.34 -51.74 54.17 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 111.336 174.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.47 -18.47 63.81 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.275 1.43 . . . . 0.0 113.245 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -58.78 -33.43 70.31 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.254 -0.904 . . . . 0.0 111.018 174.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.91 -38.43 91.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.678 0.791 . . . . 0.0 111.294 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.87 -52.86 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.407 1.083 . . . . 0.0 108.822 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 82.4 mt -57.07 -43.98 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.886 0.766 . . . . 0.0 110.991 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.93 -21.75 66.88 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.03 -32.34 15.94 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.397 1.079 . . . . 0.0 112.043 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.2 -39.62 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.766 1.227 . . . . 0.0 110.033 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.3 -4.0 3.38 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.729 1.612 . . . . 0.0 114.955 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.35 10.1 17.03 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.062 1.745 . . . . 0.0 113.599 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -107.28 156.15 38.16 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 125.691 1.596 . . . . 0.0 112.009 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.98 124.29 9.51 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.216 2.61 . . . . 0.0 111.744 175.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -158.37 166.71 31.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.989 1.716 . . . . 0.0 111.441 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -128.93 9.33 5.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.861 1.264 . . . . 0.0 113.893 -174.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 83.2 p -150.23 176.79 10.54 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.068 1.747 . . . . 0.0 111.083 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -87.9 4.63 44.03 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.565 -0.709 . . . . 0.0 112.562 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 16.3 mtp -87.38 131.86 34.15 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.474 -0.766 . . . . 0.0 110.383 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 29.1 mm -113.78 103.98 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.821 0.849 . . . . 0.0 110.528 -173.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.69 169.9 17.51 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.374 1.47 . . . . 0.0 113.854 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -60.5 -41.66 94.77 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.174 0.99 . . . . 0.0 112.754 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 10.6 p -65.48 -23.97 67.04 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 84.4 t -77.28 -44.52 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.99 0.916 . . . . 0.0 111.069 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.09 -28.8 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 O-C-N 120.946 -1.097 . . . . 0.0 112.829 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -59.61 -25.15 64.41 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.92 1.288 . . . . 0.0 113.403 175.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.39 -33.66 10.96 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.246 1.418 . . . . 0.0 112.712 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.02 -34.18 77.17 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.011 -1.055 . . . . 0.0 113.287 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.16 -30.3 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 121.323 -0.861 . . . . 0.0 112.699 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -66.49 -39.72 88.9 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.442 1.097 . . . . 0.0 111.568 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.98 -26.29 59.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.195 1.798 . . . . 0.0 112.372 174.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m -93.73 -9.46 37.61 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.255 1.348 0 C-N-CA 126.423 1.889 . . . . 0.0 113.465 -176.594 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.539 0.52 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.7 142.18 88.26 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.64 1.176 . . . . 0.0 110.27 173.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -43.97 -51.14 6.8 Favored 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 124.849 3.699 . . . . 0.0 116.394 -174.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -72.54 -35.04 67.94 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.686 -1.259 . . . . 0.0 113.041 -176.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 54.4 ttp85 -68.05 -40.31 82.83 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.406 1.082 . . . . 0.0 111.588 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 tp -65.41 -46.25 80.75 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.775 2.03 . . . . 0.0 111.345 175.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -60.52 -45.11 95.03 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.27 1.028 . . . . 0.0 112.267 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 25.9 t -59.0 -47.64 84.45 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.223 0.609 . . . . 0.0 112.005 174.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -66.67 -29.44 69.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.597 1.159 . . . . 0.0 113.697 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.48 -44.01 25.63 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.331 1.052 . . . . 0.0 113.405 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.88 -40.52 95.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.962 0.905 . . . . 0.0 112.595 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 92.1 p -62.47 -33.6 75.15 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.72 92.6 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.878 0.871 . . . . 0.0 112.411 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . 0.503 ' CE1' HD21 ' M' ' 69' ' ' LEU . 35.7 m-85 -66.95 -44.03 81.64 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.538 -0.726 . . . . 0.0 110.655 173.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -57.45 -49.53 75.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.155 1.382 . . . . 0.0 113.098 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 pp -68.38 -26.88 65.78 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -79.14 -12.45 59.99 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.808 1.243 . . . . 0.0 113.171 174.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.12 5.02 35.44 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.849 1.69 . . . . 0.0 115.289 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.2 164.62 12.24 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.519 1.528 . . . . 0.0 112.893 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 93.2 mt -128.74 81.74 2.04 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.645 1.978 . . . . 0.0 110.283 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 25.2 tp -60.14 121.98 13.27 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.472 1.509 . . . . 0.0 111.357 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -74.97 166.86 22.99 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.502 1.121 . . . . 0.0 113.308 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.2 -22.0 74.19 Favored Glycine 0 CA--C 1.538 1.482 0 N-CA-C 115.707 1.043 . . . . 0.0 115.707 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -89.74 -30.07 18.27 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.325 1.562 . . . . 0.0 110.15 172.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.15 -43.98 80.97 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.519 1.128 . . . . 0.0 111.97 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 6.2 tp -58.74 -43.52 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.925 0.89 . . . . 0.0 111.263 174.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -64.82 -35.25 80.52 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.392 1.477 . . . . 0.0 112.867 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -64.17 -51.39 64.05 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.923 0.489 . . . . 0.0 111.85 175.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.261 3.3 pp -79.83 -15.03 58.2 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -54.19 -52.24 61.82 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.856 1.262 . . . . 0.0 110.877 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.24 -21.98 52.92 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.37 -16.57 60.37 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.439 1.095 . . . . 0.0 113.566 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 98.2 mt -123.93 -2.93 8.19 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.323 1.449 . . . . 0.0 114.113 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -59.34 -30.46 68.4 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.011 -1.056 . . . . 0.0 113.499 176.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 75.5 p -85.99 -10.38 55.2 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.955 1.302 . . . . 0.0 114.446 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.95 139.02 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.895 0.878 . . . . 0.0 111.571 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -57.16 123.37 15.05 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.175 1.79 . . . . 0.0 112.225 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.7 -25.95 65.2 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' M' ' 63' ' ' LEU . 1.9 pp -84.96 -0.18 53.41 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.69 1.596 . . . . 0.0 113.221 177.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.18 -4.93 5.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.929 2.491 . . . . 0.0 112.403 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.53 -39.69 91.96 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.037 1.735 . . . . 0.0 112.192 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.48 -40.01 81.14 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.61 -37.14 84.25 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.412 -0.805 . . . . 0.0 112.355 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -65.57 -54.46 27.64 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.27 1.028 . . . . 0.0 111.78 174.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . 0.503 HD21 ' CE1' ' M' ' 38' ' ' PHE . 6.0 tt -62.26 -29.12 70.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.737 1.215 . . . . 0.0 111.751 -177.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.92 -29.33 69.54 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.182 -0.948 . . . . 0.0 112.094 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -68.7 -36.66 78.76 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.362 -0.836 . . . . 0.0 110.947 175.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 37.1 mt -64.2 -50.71 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.261 1.024 . . . . 0.0 108.931 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 73.4 mt -58.55 -43.02 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.91 0.777 . . . . 0.0 110.892 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -62.53 -26.12 68.4 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.43 -30.13 25.57 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.149 0.886 . . . . 0.0 111.868 175.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.23 -39.6 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.587 1.155 . . . . 0.0 109.426 172.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -62.4 -17.16 58.48 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.179 1.392 . . . . 0.0 114.655 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -79.63 -18.11 52.27 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -89.1 145.84 35.17 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 124.333 1.053 . . . . 0.0 111.678 -174.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.67 136.65 19.34 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 122.353 2.036 . . . . 0.0 111.149 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.06 167.19 26.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.711 1.604 . . . . 0.0 111.844 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 42.2 m -126.29 7.26 7.1 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.934 1.294 . . . . 0.0 113.6 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 85.5 p -150.18 173.14 14.26 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.292 1.837 . . . . 0.0 110.809 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -89.79 7.43 37.0 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.246 -0.909 . . . . 0.0 113.321 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.9 mtp -86.48 129.57 34.81 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.385 -0.822 . . . . 0.0 110.914 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 30.7 mm -113.73 98.48 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.69 1.196 . . . . 0.0 109.979 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.5 168.31 20.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.216 1.006 . . . . 0.0 113.381 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -50.17 -48.86 53.79 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.992 0.917 . . . . 0.0 111.816 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -57.01 -30.14 63.92 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.264 1.025 . . . . 0.0 112.918 -176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 95.2 t -76.01 -45.28 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.831 1.252 . . . . 0.0 111.426 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.72 -39.01 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.991 0.917 . . . . 0.0 112.147 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.29 -21.04 61.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.543 1.937 . . . . 0.0 113.068 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.78 -32.26 11.12 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.115 1.766 . . . . 0.0 112.532 173.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.68 75.44 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.037 -1.039 . . . . 0.0 113.48 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.67 -28.82 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.28 -0.888 . . . . 0.0 112.701 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -68.45 -20.41 64.63 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.624 1.57 . . . . 0.0 113.038 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -108.33 -8.59 15.62 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.369 1.868 . . . . 0.0 113.021 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 68.4 p -126.84 2.69 6.66 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -173.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.113 1.765 . . . . 0.0 112.457 176.263 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 86.4 mmm . . . . . 0 CA--C 1.54 0.561 0 CA-C-O 121.826 0.822 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -157.29 165.51 18.63 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 126.542 1.937 . . . . 0.0 110.373 -176.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -50.32 -34.91 42.34 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.972 3.115 . . . . 0.0 115.106 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.66 -33.04 74.96 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.733 0.813 . . . . 0.0 112.627 176.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -79.34 -32.71 43.35 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.28 -0.887 . . . . 0.0 111.567 174.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.57 -34.71 78.5 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.792 0.724 . . . . 0.0 110.34 172.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -69.46 -38.26 77.67 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.86 1.264 . . . . 0.0 110.701 172.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -66.62 -34.56 78.16 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.124 0.97 . . . . 0.0 113.295 174.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -56.96 -35.82 69.57 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.645 1.178 . . . . 0.0 111.948 174.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.64 -54.48 6.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.589 0.756 . . . . 0.0 112.128 174.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.94 -44.4 96.84 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 78.4 p -60.09 -34.38 73.39 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.33 76.72 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.151 0.887 . . . . 0.0 112.028 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.48 -43.64 98.51 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.343 0.519 . . . . 0.0 110.94 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -60.32 -40.44 90.63 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.79 1.236 . . . . 0.0 113.395 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.26 -36.06 82.39 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.234 1.014 . . . . 0.0 112.728 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -80.33 -13.93 58.78 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 175.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.16 9.82 29.0 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.675 1.607 . . . . 0.0 115.563 174.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.26 164.84 12.49 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.284 1.434 . . . . 0.0 113.159 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -127.56 76.28 1.66 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.995 2.118 . . . . 0.0 109.797 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.16 120.32 8.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.536 1.535 . . . . 0.0 111.814 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -72.78 165.42 24.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.775 1.23 . . . . 0.0 113.019 -176.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.87 -35.0 91.39 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.085 0.85 . . . . 0.0 114.774 -177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.27 -32.36 62.89 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.818 1.309 . . . . 0.0 111.246 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.41 -43.3 60.75 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.23 1.012 . . . . 0.0 113.009 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -44.13 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 118.62 0.645 . . . . 0.0 109.551 174.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -59.99 -42.8 95.02 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.636 1.174 . . . . 0.0 111.892 174.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -58.67 -52.59 65.03 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.625 0.77 . . . . 0.0 111.873 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.267 3.0 pp -72.85 -24.04 60.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 177.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -64.44 -41.08 96.77 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.097 0.959 . . . . 0.0 111.297 174.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -67.53 -35.12 78.48 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.569 -0.707 . . . . 0.0 112.452 174.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.32 -38.29 71.72 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.949 0.9 . . . . 0.0 113.221 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.23 5.7 50.61 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.652 1.581 . . . . 0.0 112.945 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -52.61 -31.39 36.22 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.485 1.514 . . . . 0.0 113.723 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 32.9 m -110.62 3.92 19.76 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.801 1.24 . . . . 0.0 113.645 -177.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mm -75.06 141.8 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.214 1.006 . . . . 0.0 110.649 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 24.6 m -55.48 126.61 25.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.101 1.76 . . . . 0.0 112.3 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.74 -37.19 75.65 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.582 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.5 pt? -77.25 -5.0 47.69 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.936 1.295 . . . . 0.0 113.98 176.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -117.3 0.07 12.15 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.873 2.069 . . . . 0.0 112.228 176.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 43.6 tp -61.66 -41.33 97.4 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.275 1.43 . . . . 0.0 111.818 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.78 -45.24 68.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.368 0.667 . . . . 0.0 111.775 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.61 -34.45 77.04 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.479 -0.763 . . . . 0.0 112.377 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -68.2 -56.4 8.85 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.966 1.306 . . . . 0.0 110.412 173.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.67 -24.48 67.8 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.8 0.84 . . . . 0.0 113.175 -176.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.02 -34.0 72.77 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.417 -0.802 . . . . 0.0 111.219 174.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -71.01 -33.5 70.42 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.914 0.886 . . . . 0.0 111.224 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 44.0 mt -63.88 -51.39 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 81.8 mt -58.23 -42.39 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.123 0.569 . . . . 0.0 110.959 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.23 -24.21 67.77 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 175.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.66 -26.75 21.7 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.417 1.087 . . . . 0.0 112.343 174.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.14 -41.1 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.882 1.273 . . . . 0.0 109.512 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -65.03 -6.16 8.06 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.289 1.836 . . . . 0.0 115.873 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -117.45 4.02 12.48 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -87.19 154.82 54.85 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.754 1.222 . . . . 0.0 111.37 174.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.18 129.02 12.67 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.665 2.243 . . . . 0.0 111.707 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.75 168.84 24.96 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.099 1.759 . . . . 0.0 111.802 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 79.1 p -126.31 3.39 7.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.563 1.545 . . . . 0.0 114.208 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 75.8 p -148.81 176.9 10.0 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.327 1.851 . . . . 0.0 111.159 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -90.91 7.46 39.99 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.594 -0.691 . . . . 0.0 112.593 176.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 12.5 mtp -86.49 129.55 34.82 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 121.496 -0.753 . . . . 0.0 110.378 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 32.1 mm -112.86 101.39 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.855 0.862 . . . . 0.0 110.465 -173.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -78.88 170.49 16.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.94 1.296 . . . . 0.0 113.568 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -51.79 -49.0 63.56 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.111 0.964 . . . . 0.0 111.617 175.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -58.3 -26.2 62.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.671 0.788 . . . . 0.0 112.877 -176.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 67.1 t -79.47 -46.63 22.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.511 1.124 . . . . 0.0 111.852 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 18.6 m -68.39 -30.04 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 121.045 -1.034 . . . . 0.0 113.535 174.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -62.47 -21.45 65.47 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.766 1.626 . . . . 0.0 113.046 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.59 -32.06 9.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.632 1.573 . . . . 0.0 112.274 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.22 82.75 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.159 -0.963 . . . . 0.0 113.228 175.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 7.8 p -60.55 -33.17 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.649 -0.657 . . . . 0.0 112.488 176.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -71.78 -24.3 61.72 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.787 1.635 . . . . 0.0 112.547 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -93.09 -9.25 40.25 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.807 1.643 . . . . 0.0 113.012 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 68.2 p -126.34 7.98 7.12 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -173.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.244 1.818 . . . . 0.0 112.744 178.282 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 10.7 tpt . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 120.678 0.275 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -139.19 125.63 12.5 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.082 1.353 . . . . 0.0 110.676 174.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.14 -33.15 52.68 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.956 3.104 . . . . 0.0 114.685 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.89 -23.48 61.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.362 1.065 . . . . 0.0 113.701 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -75.47 -15.73 60.39 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 174.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 pp -133.8 -16.96 2.23 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 -173.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -67.47 -55.19 14.6 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.303 1.411 . . . . 0.0 112.386 -175.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 87.5 p -64.48 -34.51 78.38 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.707 0.403 . . . . 0.0 112.085 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -60.03 -52.97 63.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.498 1.119 . . . . 0.0 110.634 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.28 99.55 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -44.31 97.45 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.886 -0.509 . . . . 0.0 111.444 174.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 33.7 p -64.34 -33.16 75.2 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.96 96.52 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.033 0.933 . . . . 0.0 112.0 174.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.75 -45.02 91.73 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.805 -0.559 . . . . 0.0 110.573 173.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.48 -47.89 84.17 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.73 -26.06 65.96 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.106 0.867 . . . . 0.0 113.32 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 74.8 mmt-85 -77.43 -12.3 59.94 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.898 1.279 . . . . 0.0 113.036 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.69 4.89 26.25 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.633 1.587 . . . . 0.0 115.67 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -100.8 169.91 8.68 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.205 1.402 . . . . 0.0 112.842 -174.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 97.0 mt -129.62 78.01 1.82 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.076 1.75 . . . . 0.0 109.721 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . . . . . . . . . 24.4 tp -56.57 117.34 3.78 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.116 1.366 . . . . 0.0 111.47 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -70.87 161.61 30.71 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.526 1.13 . . . . 0.0 112.241 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.38 -29.55 73.62 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 123.863 0.744 . . . . 0.0 113.923 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -22.9 60.84 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.413 -1.051 . . . . 0.0 112.908 174.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.35 -38.59 10.91 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.067 1.347 . . . . 0.0 112.691 -178.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . . . . . . . . . 7.3 tp -60.82 -39.88 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.267 -0.895 . . . . 0.0 111.429 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -69.28 -21.19 63.9 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -76.12 -55.52 5.51 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.81 0.844 . . . . 0.0 110.695 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 pp -78.52 -19.47 52.87 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 6.4 t -61.27 -35.91 78.59 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.584 1.084 . . . . 0.0 111.916 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.81 -35.44 51.34 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.112 -0.993 . . . . 0.0 112.239 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.33 -17.46 64.78 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.1 mt -107.56 -4.9 17.9 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.601 1.561 . . . . 0.0 113.072 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -60.42 -29.72 69.17 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.24 1.016 . . . . 0.0 112.22 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 76.8 p -81.51 3.85 23.35 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.641 1.576 . . . . 0.0 114.43 176.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mm -116.49 144.07 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.924 1.69 . . . . 0.0 111.208 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 42.4 m -54.82 127.33 28.03 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.348 1.859 . . . . 0.0 112.112 174.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.29 -30.24 68.18 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . 0.579 ' H ' HD23 ' M' ' 63' ' ' LEU . 2.1 pt? -83.21 -2.06 54.61 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.097 1.359 . . . . 0.0 114.438 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.41 2.99 11.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.469 1.907 . . . . 0.0 111.96 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 37.0 tp -56.78 -44.38 81.81 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.619 1.968 . . . . 0.0 112.483 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -68.0 -45.28 74.52 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.977 0.511 . . . . 0.0 112.052 -176.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -64.84 -34.22 77.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.44 0.696 . . . . 0.0 112.305 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -68.49 -54.34 17.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.073 0.949 . . . . 0.0 111.464 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.56 -25.16 67.13 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.174 1.39 . . . . 0.0 113.073 -177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.44 -33.13 70.89 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.666 0.787 . . . . 0.0 111.314 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -73.71 -32.51 63.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.465 1.106 . . . . 0.0 111.604 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.9 -52.22 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.01 -42.0 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.613 -0.68 . . . . 0.0 111.108 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -61.42 -26.51 67.91 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.61 -33.11 23.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.561 0.744 . . . . 0.0 111.911 174.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 67.4 t -64.0 -41.97 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.648 1.179 . . . . 0.0 110.559 173.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.01 -6.52 8.82 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.98 1.712 . . . . 0.0 115.541 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -120.73 2.86 10.63 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -79.65 154.94 76.16 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 123.603 0.761 . . . . 0.0 109.866 173.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.44 113.92 3.91 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.353 2.035 . . . . 0.0 111.805 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.71 166.65 32.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.752 1.621 . . . . 0.0 111.966 176.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -131.14 17.1 5.04 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.366 1.466 . . . . 0.0 112.829 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 20.5 t -149.31 170.99 17.24 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.38 1.872 . . . . 0.0 110.401 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -99.93 2.24 43.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.872 0.869 . . . . 0.0 112.937 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 11.8 mtp -80.74 131.96 35.49 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.385 -0.822 . . . . 0.0 110.443 176.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 36.6 mm -114.71 104.15 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.922 0.889 . . . . 0.0 110.754 -173.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -79.84 170.08 17.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.737 1.615 . . . . 0.0 113.737 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -53.55 -49.7 67.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.628 0.771 . . . . 0.0 112.06 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 15.2 m -59.02 -24.97 63.27 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.969 0.908 . . . . 0.0 113.193 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.67 -45.88 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.274 1.03 . . . . 0.0 112.043 175.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 23.9 m -69.51 -32.54 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 CA-C-N 119.796 1.18 . . . . 0.0 112.975 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -63.1 -21.9 66.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.947 1.699 . . . . 0.0 112.888 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.13 -31.07 11.23 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.61 1.564 . . . . 0.0 113.041 174.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.67 87.72 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.288 -0.882 . . . . 0.0 113.221 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.6 p -58.98 -26.93 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -66.28 -12.06 54.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.293 1.837 . . . . 0.0 113.454 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -117.64 -22.65 7.97 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.118 1.367 . . . . 0.0 113.255 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 98.5 p -80.0 -16.31 55.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.899 1.68 . . . . 0.0 112.315 -174.215 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' M' M ' 25' ' ' MET . . . . . . . . . . . . . 2.7 tpt . . . . . 0 CA--C 1.544 0.722 0 CA-C-O 122.799 1.285 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.35 159.5 15.96 Favored Pre-proline 0 CA--C 1.554 1.101 0 C-N-CA 126.195 1.798 . . . . 0.0 113.555 174.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 27' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -48.62 -36.66 32.7 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.888 3.725 . . . . 0.0 115.497 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.82 -34.16 75.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.787 0.835 . . . . 0.0 112.7 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 29' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -77.84 -40.36 40.56 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.797 0.839 . . . . 0.0 111.142 174.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 30' ' ' LEU . . . . . . . . . . . . . 66.4 mt -57.74 -39.43 77.31 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.343 1.057 . . . . 0.0 111.249 174.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 31' ' ' ARG . . . . . . . . . . . . . 72.4 ttt-85 -58.55 -49.61 76.81 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.445 1.498 . . . . 0.0 111.976 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 32' ' ' SER . . . . . . . . . . . . . 45.2 m -69.39 -39.83 77.74 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 33' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -62.86 -46.0 89.91 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.402 0.681 . . . . 0.0 111.746 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.4 -39.91 80.97 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.522 1.529 . . . . 0.0 113.478 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.3 -36.93 74.07 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.53 1.132 . . . . 0.0 112.693 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' M' M ' 36' ' ' SER . . . . . . . . . . . . . 54.2 p -57.95 -34.83 70.34 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.66 69.13 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.41 -0.806 . . . . 0.0 112.217 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 38' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -64.66 -40.85 96.14 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.318 0.647 . . . . 0.0 110.744 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -60.02 -44.55 94.54 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.119 1.368 . . . . 0.0 112.42 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 40' ' ' LEU . . . . . . . . . . . . . 43.1 mt -60.59 -36.46 78.6 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.133 0.973 . . . . 0.0 113.061 176.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 41' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -79.92 -7.12 58.58 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 175.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.45 11.97 57.68 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 125.211 1.386 . . . . 0.0 114.825 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.96 160.48 23.33 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.55 1.175 . . . . 0.0 111.901 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 44' ' ' LEU . . . . . . . . . . . . . 98.0 mt -124.33 50.58 1.67 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.209 2.204 . . . . 0.0 109.758 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 45' ' ' LEU . . . . . 0.414 HD23 HD13 ' M' ' 50' ' ' ILE . 50.3 tp -47.39 120.98 3.53 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.399 1.88 . . . . 0.0 112.219 178.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' M' M ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -60.95 156.08 18.42 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.984 1.314 . . . . 0.0 112.918 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.86 -26.43 72.2 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.208 0.909 . . . . 0.0 114.725 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 48' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -75.67 -33.46 60.41 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.278 1.039 . . . . 0.0 110.889 173.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.01 -41.54 35.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.843 1.257 . . . . 0.0 112.462 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 50' ' ' ILE . . . . . 0.414 HD13 HD23 ' M' ' 45' ' ' LEU . 11.2 tp -63.36 -39.1 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-O 121.198 0.523 . . . . 0.0 111.081 174.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' M' M ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.27 -42.28 99.1 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.154 1.382 . . . . 0.0 111.473 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 52' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -58.13 -49.98 75.1 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.395 0.543 . . . . 0.0 111.971 176.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 53' ' ' LEU . . . . . . . . . . . . 0.27 2.9 pp -74.14 -20.31 60.27 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' M' M ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -34.89 79.32 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 120.665 1.575 . . . . 0.0 111.607 174.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' M' M ' 55' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.21 -33.55 70.02 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.586 -0.696 . . . . 0.0 112.008 174.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.83 -10.67 60.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.438 1.095 . . . . 0.0 113.67 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 57' ' ' LEU . . . . . . . . . . . . . 86.5 mt -125.36 13.27 8.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.869 2.068 . . . . 0.0 112.211 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 58' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -53.53 -25.71 18.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.732 2.013 . . . . 0.0 115.192 -174.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -124.96 10.64 8.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.653 1.181 . . . . 0.0 113.243 -177.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mm -72.26 141.05 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.69 0.796 . . . . 0.0 111.02 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 61' ' ' SER . . . . . . . . . . . . . 10.4 m -56.01 130.46 43.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.898 1.679 . . . . 0.0 112.629 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.68 -31.32 62.3 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -174.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 pp -96.94 -7.05 34.17 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.515 1.126 . . . . 0.0 113.393 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -101.26 -12.97 18.28 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.449 1.5 . . . . 0.0 112.397 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 tp -54.39 -43.81 71.74 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.271 1.828 . . . . 0.0 112.181 -174.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 66' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -71.91 -25.69 62.01 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 67' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -85.82 -36.74 19.85 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.542 1.137 . . . . 0.0 111.433 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 68' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -63.2 -54.41 37.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.031 1.332 . . . . 0.0 111.286 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.85 -22.88 66.57 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.635 0.774 . . . . 0.0 112.925 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 70' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.61 -28.41 69.34 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.172 -0.955 . . . . 0.0 111.207 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 71' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -68.48 -37.19 79.91 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.543 -0.723 . . . . 0.0 111.1 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 72' ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.59 -51.55 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.128 0.971 . . . . 0.0 108.754 174.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 73' ' ' ILE . . . . . . . . . . . . . 96.3 mt -54.77 -46.76 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.97 0.908 . . . . 0.0 110.848 177.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 74' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -63.32 -28.0 69.71 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 176.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.95 -25.73 34.59 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.282 0.946 . . . . 0.0 112.335 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.99 -38.9 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.377 -0.827 . . . . 0.0 109.462 172.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 77' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.64 -28.57 70.0 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 78' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -73.52 -15.54 61.3 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 79' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -89.01 129.1 49.47 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 124.345 1.058 . . . . 0.0 110.26 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 80' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.66 129.16 33.51 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.925 2.417 . . . . 0.0 112.541 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 pp -153.92 168.15 27.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.229 1.412 . . . . 0.0 112.504 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 82' ' ' SER . . . . . . . . . . . . . 80.4 p -139.47 9.8 2.47 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.313 1.445 . . . . 0.0 113.847 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 83' ' ' SER . . . . . . . . . . . . . 44.5 m -157.05 163.45 39.02 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.003 1.721 . . . . 0.0 111.098 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -93.33 4.92 53.19 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.62 1.168 . . . . 0.0 113.639 -175.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 85' ' ' MET . . . . . . . . . . . . . 10.3 ttm -90.1 82.58 6.07 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.643 1.177 . . . . 0.0 111.303 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 86' ' ' ILE . . . . . . . . . . . . . 23.0 mm -68.22 138.75 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.442 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -122.91 166.47 14.98 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.484 1.113 . . . . 0.0 112.666 -174.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 88' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -57.8 -40.64 80.41 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.519 -0.738 . . . . 0.0 112.182 -174.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 89' ' ' SER . . . . . . . . . . . . . 21.8 t -59.16 -34.93 72.69 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 90' ' ' VAL . . . . . . . . . . . . . 85.8 t -73.38 -43.99 55.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.925 0.89 . . . . 0.0 111.063 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 91' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.36 -39.82 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 121.546 -0.721 . . . . 0.0 112.042 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 92' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -59.0 -15.94 15.72 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.464 1.506 . . . . 0.0 114.096 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 93' ' ' ALA . . . . . . . . . . . . . . . -103.2 -33.51 9.16 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.558 1.543 . . . . 0.0 111.81 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.62 87.23 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.429 1.091 . . . . 0.0 113.142 174.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.17 -29.11 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.542 1.137 . . . . 0.0 112.78 175.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -70.92 -21.35 62.37 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.881 1.272 . . . . 0.0 112.973 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 97' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -105.69 -8.14 18.05 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.097 1.359 . . . . 0.0 112.805 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 98' ' ' SER . . . . . . . . . . . . . 62.8 p -122.41 2.27 9.65 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -174.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 99' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.549 1.939 . . . . 0.0 112.363 176.85 . . . . . . . . 0 0 . 1 stop_ save_