data_2k9h_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 2k9h _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tpt . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.65 137.8 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.316 1.446 . . . . 0.0 112.476 -174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.0 t -67.91 145.1 54.91 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.18 1.392 . . . . 0.0 113.705 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -72.02 -15.66 62.04 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.784 1.234 . . . . 0.0 114.312 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.9 t -112.57 -63.81 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 125.01 1.324 . . . . 0.0 113.176 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 p -80.52 -8.7 59.67 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.256 0.3 OUTLIER 52.63 27.84 5.57 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.323 1.449 . . . . 0.0 114.541 -177.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -104.41 162.9 12.84 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.278 1.831 . . . . 0.0 110.332 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -78.42 166.67 22.36 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.543 1.137 . . . . 0.0 113.121 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.3 t -134.91 161.78 34.27 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.673 1.989 . . . . 0.0 108.961 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.05 -29.8 70.72 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.7 p -141.05 157.91 44.66 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.714 1.206 . . . . 0.0 111.642 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -14.09 61.83 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -88.14 -42.02 12.62 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.429 1.491 . . . . 0.0 111.438 179.04 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.56 -23.71 62.66 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.65 0.78 . . . . 0.0 111.098 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.9 tp -54.37 -34.82 61.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.855 1.662 . . . . 0.0 112.755 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.2 -32.09 71.14 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.359 1.064 . . . . 0.0 111.808 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.4 m -79.47 -34.95 40.98 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.409 0.684 . . . . 0.0 110.51 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -52.1 -59.64 4.13 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.034 1.734 . . . . 0.0 110.429 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -56.23 -36.91 69.03 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -70.03 -19.88 63.28 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.103 0.961 . . . . 0.0 113.215 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 m -93.88 -40.83 9.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.836 0.854 . . . . 0.0 109.495 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.8 m -56.1 -43.33 77.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.381 1.472 . . . . 0.0 113.16 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.8 tp -59.07 -19.59 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.79 0.836 . . . . 0.0 112.369 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -109.14 5.7 24.18 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 127.224 2.21 . . . . 0.0 112.558 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.75 19.99 79.52 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.378 1.466 . . . . 0.0 115.246 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -116.86 155.01 29.76 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.213 1.405 . . . . 0.0 113.822 -175.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.7 t -83.11 136.54 43.62 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 124.644 1.177 . . . . 0.0 110.201 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -64.88 -13.21 38.24 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.455 2.77 . . . . 0.0 116.532 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -134.54 -43.2 0.76 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.0 p -81.89 -6.19 58.89 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.127 1.785 . . . . 0.0 112.293 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.7 mmt 60.45 8.09 1.54 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.816 2.846 . . . . 0.0 116.117 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.7 m -57.62 142.53 44.5 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.413 1.085 . . . . 0.0 110.285 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.7 mt -120.22 139.93 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.618 1.167 . . . . 0.0 110.755 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 t -149.33 -169.23 3.32 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.965 2.506 . . . . 0.0 109.174 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.39 143.16 57.31 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.138 -1.601 . . . . 0.0 111.155 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.32 41.59 0.39 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.723 1.209 . . . . 0.0 113.164 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.9 p -119.36 149.22 42.19 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.311 1.844 . . . . 0.0 110.421 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.11 -36.03 74.45 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.28 -0.887 . . . . 0.0 112.798 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.6 m -61.82 -41.54 97.9 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.268 1.027 . . . . 0.0 112.729 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.83 -42.02 35.06 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.495 0.718 . . . . 0.0 111.902 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.84 -42.26 90.75 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.427 0.691 . . . . 0.0 111.625 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.76 -40.57 92.99 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.115 -0.991 . . . . 0.0 111.179 175.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.21 81.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.527 0.603 . . . . 0.0 111.528 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -71.23 -53.99 12.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.46 0.704 . . . . 0.0 111.615 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -64.57 -19.83 65.88 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.9 m -64.09 -20.11 65.72 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.379 -0.826 . . . . 0.0 112.136 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.8 pt -122.8 1.6 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.949 1.7 . . . . 0.0 113.99 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.7 t -121.93 127.34 50.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.808 1.643 . . . . 0.0 113.013 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -128.35 6.98 5.84 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.948 1.699 . . . . 0.0 112.975 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.45 -14.9 62.86 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.189 0.996 . . . . 0.0 111.33 172.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.6 p -46.76 -16.44 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 130.03 3.332 . . . . 0.0 116.058 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.85 34.81 0.41 Allowed Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.189 1.852 . . . . 0.0 112.207 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 . . . . . 0 C--O 1.251 1.133 0 C-N-CA 125.726 1.611 . . . . 0.0 112.153 -178.585 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 ttt . . . . . 0 CA--C 1.548 0.876 0 CA-C-O 121.285 0.564 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.2 t -126.37 138.2 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.585 1.554 . . . . 0.0 111.222 -176.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.2 t -61.18 152.62 28.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.518 1.527 . . . . 0.0 113.921 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -85.12 -9.46 57.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.995 1.318 . . . . 0.0 113.834 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.6 t -116.95 -61.09 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.134 1.374 . . . . 0.0 113.098 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.1 p -85.23 -7.39 59.05 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.296 1.5 t60 48.03 36.65 6.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.987 1.715 . . . . 0.0 114.975 -177.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -111.69 160.15 17.54 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.719 2.008 . . . . 0.0 110.031 177.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.5 169.68 17.61 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.963 0.905 . . . . 0.0 112.454 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.4 t -133.34 157.67 44.92 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.268 1.827 . . . . 0.0 108.626 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -59.72 -27.74 66.73 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.33 157.27 45.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.727 1.211 . . . . 0.0 111.215 176.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.78 -12.8 60.81 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -89.69 -45.08 9.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.202 1.401 . . . . 0.0 111.192 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.69 -14.53 63.08 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.663 0.785 . . . . 0.0 112.325 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.4 tp -56.14 -32.16 64.0 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.634 1.574 . . . . 0.0 112.368 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -69.54 -40.91 76.58 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.181 -0.949 . . . . 0.0 111.154 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -63.43 -35.47 80.52 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.646 -0.659 . . . . 0.0 110.448 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -58.4 -60.46 3.75 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.365 1.466 . . . . 0.0 110.216 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -58.91 -38.13 78.21 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.86 -24.1 67.44 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.965 0.906 . . . . 0.0 112.947 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 m -92.14 -42.67 9.78 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.365 1.066 . . . . 0.0 110.33 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.0 m -56.0 -46.14 78.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.514 1.526 . . . . 0.0 113.139 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.5 tt -58.36 -19.41 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 123.941 0.896 . . . . 0.0 112.869 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -110.82 6.44 21.37 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.878 2.071 . . . . 0.0 112.958 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.63 40.71 85.69 Favored Glycine 0 N--CA 1.468 0.816 0 C-N-CA 124.781 1.181 . . . . 0.0 114.632 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -136.99 153.02 50.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.043 1.337 . . . . 0.0 112.607 -176.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.89 138.24 37.52 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 124.236 1.014 . . . . 0.0 109.751 173.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -63.96 -15.3 48.34 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.142 2.561 . . . . 0.0 116.278 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -136.48 -42.99 0.61 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 117.155 2.279 . . . . 0.0 117.155 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 p -82.26 -5.92 58.87 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 121.33 1.877 . . . . 0.0 112.431 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.3 mmt 58.14 16.71 4.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.455 2.702 . . . . 0.0 115.625 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.9 m -61.12 145.01 52.48 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.504 -0.747 . . . . 0.0 109.022 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.7 mt -113.4 147.34 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.516 1.126 . . . . 0.0 111.245 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.9 p -136.35 -178.0 4.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.362 2.265 . . . . 0.0 111.936 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.94 2.39 6.98 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.182 1.393 . . . . 0.0 114.157 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 64.09 15.26 9.15 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.106 1.762 . . . . 0.0 114.248 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.7 p -103.08 155.82 18.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.665 1.586 . . . . 0.0 110.326 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.77 -43.63 85.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.358 -0.839 . . . . 0.0 112.032 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.0 m -59.26 -38.03 79.09 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.05 0.94 . . . . 0.0 112.646 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.15 -35.93 35.91 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.488 0.715 . . . . 0.0 112.272 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.6 mt -74.79 -43.06 56.74 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.645 -0.659 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -61.28 -38.02 85.26 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.234 0.925 . . . . 0.0 111.203 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.45 78.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.162 0.585 . . . . 0.0 111.655 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -72.59 -54.46 9.06 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.464 0.706 . . . . 0.0 111.729 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -63.49 -19.64 64.93 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 t -61.72 -24.53 66.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.729 0.812 . . . . 0.0 112.205 172.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.0 pt -118.8 -3.54 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 125.587 1.555 . . . . 0.0 114.564 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.8 t -111.62 135.78 51.74 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.398 1.479 . . . . 0.0 112.778 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -132.95 0.79 3.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.948 1.699 . . . . 0.0 113.592 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.4 mt -69.1 -11.75 61.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.445 1.098 . . . . 0.0 112.96 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.5 p -49.36 -10.96 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 129.34 3.056 . . . . 0.0 117.489 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -157.63 34.22 0.54 Allowed Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.745 1.64 . . . . 0.0 112.255 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.701 1.6 . . . . 0.0 112.221 -178.781 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 40.0 tpp . . . . . 0 CA--C 1.547 0.847 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.7 t -83.49 131.1 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.091 1.356 . . . . 0.0 112.41 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.4 t -64.83 146.86 54.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.957 1.703 . . . . 0.0 113.518 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.82 -17.92 63.42 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.323 1.449 . . . . 0.0 114.567 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.69 -63.95 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.061 1.344 . . . . 0.0 113.423 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 p -78.33 -3.44 43.03 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 44.91 36.35 1.87 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.407 1.883 . . . . 0.0 113.843 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -117.5 158.42 24.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.831 2.452 . . . . 0.0 109.619 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.88 166.5 23.54 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.308 -0.87 . . . . 0.0 113.137 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.7 t -130.06 167.3 18.52 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.35 1.86 . . . . 0.0 110.102 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -64.14 -37.36 87.16 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.159 -0.963 . . . . 0.0 112.691 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -143.31 158.83 43.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.901 1.28 . . . . 0.0 111.514 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.41 -11.36 60.76 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -94.71 -41.72 9.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.928 1.691 . . . . 0.0 110.725 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.54 -27.19 69.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.296 1.038 . . . . 0.0 110.72 173.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.05 -34.95 61.4 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.911 1.685 . . . . 0.0 113.316 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.99 -35.52 78.47 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.515 -0.741 . . . . 0.0 111.695 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 m -72.58 -34.64 67.57 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.382 173.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -58.94 -60.34 4.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.899 1.68 . . . . 0.0 110.278 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -57.21 -37.92 72.95 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.94 -19.93 65.02 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -93.45 -42.95 8.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.654 0.781 . . . . 0.0 109.909 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.1 m -53.9 -45.56 71.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.925 1.29 . . . . 0.0 112.988 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.2 tp -57.7 -19.54 12.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.961 0.904 . . . . 0.0 112.741 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -111.41 7.12 20.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.223 2.209 . . . . 0.0 113.065 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.92 26.91 73.11 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.454 1.026 . . . . 0.0 114.536 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -116.91 152.21 35.0 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.547 1.939 . . . . 0.0 113.298 -175.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.64 133.63 33.95 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 124.485 1.114 . . . . 0.0 109.178 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -64.19 -11.08 26.01 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.765 2.977 . . . . 0.0 117.093 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -135.02 -45.69 0.72 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 9.9 p -83.4 -4.29 58.35 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 120.659 1.572 . . . . 0.0 112.566 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 87.0 mmm 57.72 17.05 3.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.363 2.665 . . . . 0.0 115.836 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 55.2 m -60.4 142.53 54.85 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.356 -0.84 . . . . 0.0 109.927 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.52 137.5 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.938 1.295 . . . . 0.0 110.604 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.4 t -155.03 -170.94 3.65 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.29 2.236 . . . . 0.0 109.455 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.82 148.85 50.65 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.224 -1.547 . . . . 0.0 110.994 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.4 2.05 10.32 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.6 p -71.82 149.97 44.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.411 1.085 . . . . 0.0 111.295 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -61.59 -33.83 74.56 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.086 -1.009 . . . . 0.0 111.812 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 m -62.73 -42.52 99.7 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.279 1.032 . . . . 0.0 112.663 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.34 58.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.358 0.663 . . . . 0.0 111.695 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.09 -43.98 85.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.622 0.769 . . . . 0.0 111.939 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -61.18 -38.95 88.33 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.449 1.022 . . . . 0.0 111.45 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.96 77.94 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 118.755 0.707 . . . . 0.0 111.464 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.9 -53.88 11.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.533 0.733 . . . . 0.0 111.314 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -63.81 -19.89 65.37 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -65.52 -20.55 66.39 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.443 -0.786 . . . . 0.0 112.378 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.3 pt -121.19 -7.81 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.718 1.607 . . . . 0.0 114.084 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.1 t -105.95 130.53 53.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.26 1.424 . . . . 0.0 112.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.78 11.51 4.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.336 1.854 . . . . 0.0 112.366 176.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.31 -7.3 53.58 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.849 1.26 . . . . 0.0 111.284 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.5 p -54.86 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.16 1 C-N-CA 132.195 4.198 . . . . 0.0 117.914 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.07 17.47 0.1 OUTLIER Glycine 0 CA--C 1.539 1.581 0 C-N-CA 126.875 2.178 . . . . 0.0 113.566 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.501 1.52 . . . . 0.0 112.644 -178.059 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 ttt . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.2 t -120.51 132.18 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.74 1.616 . . . . 0.0 111.3 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.16 139.82 58.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.564 1.146 . . . . 0.0 112.433 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.81 -10.74 60.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.331 1.452 . . . . 0.0 114.73 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.55 -46.02 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.921 1.288 . . . . 0.0 113.412 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.1 p -104.2 0.37 29.4 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.3 m80 44.18 36.31 1.48 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.475 1.91 . . . . 0.0 114.724 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -117.11 162.12 18.34 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.855 2.062 . . . . 0.0 110.535 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -74.6 169.08 18.52 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.991 0.916 . . . . 0.0 112.888 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.4 t -130.55 159.95 35.61 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.96 2.104 . . . . 0.0 107.97 173.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.6 -31.05 71.81 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.893 -1.129 . . . . 0.0 113.052 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -140.68 158.69 43.61 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.91 1.284 . . . . 0.0 111.271 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.72 -12.44 61.32 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.89 -45.53 9.17 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.614 1.566 . . . . 0.0 111.125 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -68.2 -16.03 63.81 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.318 0.647 . . . . 0.0 112.174 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.55 -33.41 63.83 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.319 1.448 . . . . 0.0 112.034 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.34 -33.0 74.33 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.806 0.842 . . . . 0.0 111.73 176.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.1 m -77.68 -33.39 53.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.146 0.978 . . . . 0.0 110.474 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -57.51 -58.51 7.98 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.554 1.542 . . . . 0.0 109.693 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.5 ptp85 -55.54 -40.36 71.75 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -69.41 -24.37 63.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.959 0.904 . . . . 0.0 113.002 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.9 m -85.38 -46.47 10.92 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.321 0.649 . . . . 0.0 109.513 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m -56.14 -47.02 78.99 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.528 1.531 . . . . 0.0 113.361 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.6 tp -58.26 -19.43 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 123.317 0.647 . . . . 0.0 112.424 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -109.89 6.84 23.63 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.189 2.196 . . . . 0.0 113.194 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.22 30.02 65.66 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.602 1.096 . . . . 0.0 115.277 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -127.14 159.69 33.46 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.003 1.721 . . . . 0.0 112.567 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.1 t -93.57 139.42 22.83 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.374 1.47 . . . . 0.0 110.5 173.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -64.96 -12.74 35.99 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.257 2.638 . . . . 0.0 115.937 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -131.11 -51.95 1.03 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.5 p -79.82 -12.21 59.78 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.569 1.531 . . . . 0.0 112.251 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.6 mtt 56.26 18.56 3.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.098 2.559 . . . . 0.0 115.472 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 51.9 m -59.78 134.82 57.38 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.561 -0.712 . . . . 0.0 109.448 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.0 mm -98.63 139.37 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.245 1.018 . . . . 0.0 110.981 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.5 t -153.69 -177.83 6.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 127.298 2.239 . . . . 0.0 109.189 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -67.27 146.31 54.28 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.069 -1.645 . . . . 0.0 110.393 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.56 3.75 3.67 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.9 p -75.93 149.36 37.72 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.66 1.184 . . . . 0.0 111.537 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.11 -43.87 87.38 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.286 -0.884 . . . . 0.0 112.412 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.6 m -60.14 -39.13 85.25 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.914 0.886 . . . . 0.0 112.703 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.52 -37.01 57.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.27 0.628 . . . . 0.0 111.849 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 44.6 mt -70.51 -40.89 73.26 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.692 -0.63 . . . . 0.0 111.408 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.68 -37.79 85.41 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.301 -0.874 . . . . 0.0 111.148 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.19 -35.33 76.87 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.7 0.682 . . . . 0.0 111.66 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -72.56 -54.59 8.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.533 0.733 . . . . 0.0 111.325 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -63.71 -19.93 65.33 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.8 m -63.26 -20.11 65.16 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.446 -0.784 . . . . 0.0 112.458 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 pt -121.34 -6.33 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.637 1.575 . . . . 0.0 114.069 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 23.5 t -109.48 128.54 55.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.143 1.377 . . . . 0.0 113.423 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -131.98 11.9 4.71 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.107 1.763 . . . . 0.0 112.526 174.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.77 -11.44 60.95 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.742 1.217 . . . . 0.0 111.551 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 53.4 p -52.7 17.09 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 1 C-N-CA 132.779 4.432 . . . . 0.0 118.274 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.19 26.71 0.07 OUTLIER Glycine 0 CA--C 1.534 1.269 0 C-N-CA 127.229 2.347 . . . . 0.0 112.557 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.185 1.394 . . . . 0.0 112.76 -175.07 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.2 ttp . . . . . 0 CA--C 1.551 0.99 0 CA-C-O 122.004 0.906 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -114.88 136.15 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.93 2.092 . . . . 0.0 111.281 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.3 142.93 54.0 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.273 1.429 . . . . 0.0 113.71 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -72.17 -11.89 60.94 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.801 1.24 . . . . 0.0 114.127 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.4 t -114.97 -63.23 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 125.194 1.398 . . . . 0.0 113.122 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.0 p -81.57 -3.56 53.61 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 46.0 35.51 2.49 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.152 1.781 . . . . 0.0 113.918 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -111.66 150.13 30.58 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.771 2.028 . . . . 0.0 109.757 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -75.22 139.2 42.44 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.325 -0.859 . . . . 0.0 111.302 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.3 t -92.38 173.64 7.7 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.177 0.991 . . . . 0.0 111.056 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.76 -36.39 78.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.654 -1.279 . . . . 0.0 112.061 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -145.54 165.88 27.35 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.444 1.498 . . . . 0.0 112.009 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.41 -15.94 61.34 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -89.49 -43.99 10.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.234 1.414 . . . . 0.0 110.726 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.57 -23.55 66.87 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.393 1.077 . . . . 0.0 111.424 176.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.7 tp -53.09 -35.0 59.11 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.396 1.879 . . . . 0.0 112.889 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.09 -46.55 77.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.153 0.981 . . . . 0.0 110.969 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -64.77 -36.84 85.61 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.474 -0.766 . . . . 0.0 110.894 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -58.54 -60.4 3.87 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.438 1.495 . . . . 0.0 110.359 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -58.57 -39.2 79.64 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -69.43 -19.73 63.78 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.5 m -91.7 -43.09 9.79 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.491 -0.756 . . . . 0.0 110.044 174.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 67.3 m -54.83 -45.7 74.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.162 1.385 . . . . 0.0 113.134 176.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.6 tp -57.63 -19.49 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 123.891 0.877 . . . . 0.0 112.579 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -111.6 7.43 20.53 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.254 2.222 . . . . 0.0 113.145 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.82 27.71 71.9 Favored Glycine 0 CA--C 1.539 1.546 0 O-C-N 120.985 -1.072 . . . . 0.0 114.829 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -118.1 152.55 35.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.332 1.853 . . . . 0.0 113.106 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.6 t -89.74 133.22 34.6 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 124.427 1.091 . . . . 0.0 109.26 170.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -64.62 -18.79 63.88 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.352 2.701 . . . . 0.0 116.894 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -134.5 -12.68 2.35 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 117.662 2.468 . . . . 0.0 117.662 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.85 -2.68 14.3 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 120.565 1.53 . . . . 0.0 111.934 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 55.83 18.19 2.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.995 2.518 . . . . 0.0 115.677 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.5 m -61.32 138.98 58.25 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.34 -0.85 . . . . 0.0 109.271 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.61 134.86 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.686 1.195 . . . . 0.0 110.408 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.3 t -154.53 -169.04 3.1 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.369 2.268 . . . . 0.0 109.382 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -69.76 152.64 44.38 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.012 -1.68 . . . . 0.0 111.746 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.7 1.45 17.08 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.098 0.959 . . . . 0.0 113.505 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.9 p -72.4 147.92 45.73 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.61 1.164 . . . . 0.0 111.335 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -62.19 -29.95 70.73 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.179 -0.95 . . . . 0.0 112.267 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.1 m -66.26 -42.36 88.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.075 0.95 . . . . 0.0 112.123 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.79 -42.32 58.34 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.512 0.725 . . . . 0.0 111.626 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.02 -46.12 79.03 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.625 0.77 . . . . 0.0 112.185 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -61.67 -37.75 85.22 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.577 1.081 . . . . 0.0 111.733 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.66 80.95 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.644 0.656 . . . . 0.0 111.319 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -70.23 -53.04 18.71 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.391 0.677 . . . . 0.0 111.166 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -64.07 -20.07 65.68 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -64.94 -20.23 66.36 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.485 -0.759 . . . . 0.0 112.307 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.7 pt -122.52 -3.98 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.824 1.65 . . . . 0.0 114.082 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.2 t -112.39 130.67 55.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.556 1.542 . . . . 0.0 112.795 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -131.24 8.0 4.65 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.15 1.78 . . . . 0.0 112.756 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.89 -15.18 63.5 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.677 0.791 . . . . 0.0 110.885 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.2 p -49.2 -2.51 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 131.009 3.724 . . . . 0.0 117.756 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -151.17 21.77 0.97 Allowed Glycine 0 CA--C 1.538 1.503 0 C-N-CA 126.03 1.776 . . . . 0.0 113.622 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 125.128 1.371 . . . . 0.0 114.536 -179.49 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 ttt . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.6 t -86.53 128.54 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.747 1.219 . . . . 0.0 110.498 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.1 t -57.85 139.74 53.45 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.141 1.377 . . . . 0.0 112.818 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -66.39 -11.51 51.91 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.6 t -118.52 -69.44 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 125.098 1.359 . . . . 0.0 112.532 -177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.7 p -72.58 -3.19 23.21 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.4 m80 45.25 38.97 3.79 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.435 1.894 . . . . 0.0 113.848 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -117.75 150.14 39.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.43 2.292 . . . . 0.0 109.534 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -76.59 133.15 39.75 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.354 -0.841 . . . . 0.0 110.229 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.3 p -74.49 173.95 9.64 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.84 0.856 . . . . 0.0 112.207 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -71.02 -41.85 70.32 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.887 -1.133 . . . . 0.0 110.404 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -144.3 152.22 40.48 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.774 1.63 . . . . 0.0 110.966 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.15 -12.4 19.57 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -82.33 -44.06 16.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.739 1.616 . . . . 0.0 111.072 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -73.46 -16.8 61.3 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.4 tp -48.1 -41.21 25.73 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.534 1.934 . . . . 0.0 114.514 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -70.36 -41.0 73.7 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.346 -0.846 . . . . 0.0 111.778 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 t -62.57 -37.59 86.8 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.71 -0.619 . . . . 0.0 110.454 174.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -57.72 -60.77 3.18 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.494 1.518 . . . . 0.0 110.301 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -59.82 -38.88 83.26 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -65.89 -19.84 66.02 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 m -95.04 -43.32 8.19 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.08 0.952 . . . . 0.0 109.926 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.8 m -55.27 -44.08 75.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.567 1.547 . . . . 0.0 112.941 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.6 -19.51 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 124.046 0.938 . . . . 0.0 112.666 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -110.72 7.85 22.33 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.05 2.14 . . . . 0.0 112.528 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.57 22.13 77.83 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.197 1.38 . . . . 0.0 115.213 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -118.46 154.4 32.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.804 1.241 . . . . 0.0 113.847 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.1 t -80.57 137.94 51.29 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.871 1.268 . . . . 0.0 110.518 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.53 -14.39 44.59 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.218 2.612 . . . . 0.0 116.273 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -134.25 -46.35 0.77 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 p -81.08 -5.13 57.28 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.099 1.772 . . . . 0.0 112.116 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.1 mmt 60.22 11.4 2.78 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.698 2.799 . . . . 0.0 115.482 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.3 m -54.45 139.44 37.41 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.933 1.293 . . . . 0.0 110.422 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.8 mt -118.19 138.65 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.431 1.092 . . . . 0.0 110.701 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 t -151.42 -170.61 3.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.993 2.517 . . . . 0.0 108.805 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.41 149.1 50.71 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 119.98 -1.7 . . . . 0.0 110.947 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.95 4.41 5.42 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.2 p -72.99 150.32 42.55 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.694 1.198 . . . . 0.0 111.22 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.05 -35.83 77.98 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.176 -0.952 . . . . 0.0 112.272 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -62.76 -42.18 99.56 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.365 1.066 . . . . 0.0 112.89 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.53 -42.41 67.95 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.307 0.643 . . . . 0.0 111.25 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.59 -37.25 79.67 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.419 0.688 . . . . 0.0 111.926 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -62.84 -41.01 99.18 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.652 -1.28 . . . . 0.0 110.364 174.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.01 89.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.41 0.55 . . . . 0.0 110.995 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -63.86 -57.37 10.06 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.894 0.878 . . . . 0.0 111.231 174.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -65.8 -19.77 66.01 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -64.86 -19.81 66.08 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.537 -0.727 . . . . 0.0 112.367 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.9 pt -123.1 -1.55 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.679 1.592 . . . . 0.0 114.208 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.7 t -118.06 131.36 56.46 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.687 1.595 . . . . 0.0 112.859 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -130.91 1.26 4.31 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.852 1.661 . . . . 0.0 113.72 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.7 mt -65.31 -14.76 61.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.972 0.909 . . . . 0.0 111.88 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.3 p -49.41 -14.52 0.1 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.495 3.118 . . . . 0.0 116.212 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.47 31.54 0.34 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.159 1.837 . . . . 0.0 112.246 176.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.635 1.574 . . . . 0.0 112.431 -176.773 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.7 ttt . . . . . 0 CA--C 1.549 0.925 0 CA-C-O 121.037 0.446 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.6 t -120.15 132.95 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.735 1.614 . . . . 0.0 111.486 -175.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.1 t -63.54 142.37 58.42 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.495 1.118 . . . . 0.0 113.213 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -73.12 -12.13 60.79 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.0 t -117.66 -48.82 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.719 1.208 . . . . 0.0 113.951 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.0 p -104.04 0.72 30.17 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 47.82 27.88 1.22 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.568 1.947 . . . . 0.0 114.47 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -83.36 143.33 30.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.69 1.196 . . . . 0.0 111.081 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -86.46 85.86 7.32 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.488 1.515 . . . . 0.0 109.851 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.4 t -51.75 152.43 2.9 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.372 1.069 . . . . 0.0 113.241 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -53.41 -31.38 44.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.862 1.265 . . . . 0.0 114.014 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.32 157.25 45.46 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.011 1.324 . . . . 0.0 110.574 175.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.29 -11.78 61.1 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -99.29 -40.78 7.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.024 1.33 . . . . 0.0 112.03 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.32 -23.05 67.24 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.899 0.772 . . . . 0.0 110.988 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.0 tp -53.79 -33.28 55.51 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.436 1.895 . . . . 0.0 112.308 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -67.86 -32.24 72.63 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.272 1.029 . . . . 0.0 111.815 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 m -80.31 -36.56 34.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.128 0.971 . . . . 0.0 110.46 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -55.02 -60.26 3.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.234 1.813 . . . . 0.0 110.583 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -54.45 -39.44 67.44 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -70.55 -19.92 62.84 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.169 0.987 . . . . 0.0 113.08 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -92.27 -42.46 9.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.215 1.006 . . . . 0.0 109.996 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.0 m -56.76 -42.96 80.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.585 1.554 . . . . 0.0 113.669 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.5 tt -60.2 -19.37 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.417 0.687 . . . . 0.0 112.409 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -107.45 6.89 28.62 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.065 2.146 . . . . 0.0 112.234 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.37 21.6 76.02 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.655 1.598 . . . . 0.0 115.17 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -119.92 158.51 26.54 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.235 1.414 . . . . 0.0 113.809 -174.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.5 t -85.89 139.02 34.95 Favored Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 125.067 1.347 . . . . 0.0 111.179 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -64.85 -14.34 44.44 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.442 2.761 . . . . 0.0 116.136 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -134.13 -47.53 0.78 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -78.05 -13.24 59.94 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.892 1.678 . . . . 0.0 111.903 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.2 mtt 58.12 15.55 3.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.234 2.614 . . . . 0.0 116.163 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 49.0 m -59.9 145.36 46.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.808 0.843 . . . . 0.0 109.116 172.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.1 mt -119.36 141.7 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.192 0.997 . . . . 0.0 111.44 -177.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.5 t -150.52 -170.72 3.73 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 128.297 2.639 . . . . 0.0 109.011 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.04 146.58 54.18 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 119.957 -1.714 . . . . 0.0 111.275 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.19 43.53 0.37 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.853 1.261 . . . . 0.0 113.194 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.4 p -128.15 154.44 45.76 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.006 1.722 . . . . 0.0 112.142 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -57.28 -44.94 84.45 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.1 m -58.01 -38.42 76.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.918 0.887 . . . . 0.0 112.394 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.81 -41.75 22.81 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.276 1.031 . . . . 0.0 113.118 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.4 mt -76.61 -43.05 40.13 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -61.55 -34.81 76.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.336 0.971 . . . . 0.0 111.293 177.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.03 85.16 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.388 0.675 . . . . 0.0 111.698 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.38 -52.73 20.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.508 0.723 . . . . 0.0 110.809 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -64.03 -19.64 65.35 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.0 m -64.42 -20.06 65.92 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.355 -0.841 . . . . 0.0 112.326 173.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.9 pt -122.09 -5.09 8.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 125.739 1.616 . . . . 0.0 114.141 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 14.2 t -111.76 128.76 56.19 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.205 1.402 . . . . 0.0 112.819 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -129.96 7.66 5.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.982 1.713 . . . . 0.0 112.794 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.04 -20.6 64.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.44 0.696 . . . . 0.0 110.241 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.6 p -50.01 -18.29 0.52 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 129.367 3.067 . . . . 0.0 115.157 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.92 23.19 1.78 Allowed Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.767 1.651 . . . . 0.0 113.782 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.377 1.871 . . . . 0.0 112.694 179.037 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.9 ttt . . . . . 0 CA--C 1.546 0.809 0 CA-C-O 121.463 0.649 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.8 t -124.12 128.79 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.006 1.722 . . . . 0.0 110.915 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -61.58 147.45 45.56 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.917 1.287 . . . . 0.0 113.222 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.54 -13.21 61.72 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.018 1.327 . . . . 0.0 114.244 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.78 -70.27 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.344 1.458 . . . . 0.0 112.651 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 p -75.25 -1.95 25.8 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.5 m80 42.98 38.79 1.53 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.59 1.956 . . . . 0.0 113.816 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -119.23 166.09 13.42 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.711 2.404 . . . . 0.0 110.131 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.42 171.35 15.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.444 1.098 . . . . 0.0 112.54 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.5 t -133.3 167.49 20.3 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.113 2.165 . . . . 0.0 108.529 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -57.2 -34.41 68.49 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.869 -1.144 . . . . 0.0 112.257 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -141.3 159.42 42.25 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.314 1.445 . . . . 0.0 111.12 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.85 -11.58 60.87 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 121.488 -0.757 . . . . 0.0 112.936 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -88.01 -46.18 9.56 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.066 1.346 . . . . 0.0 111.003 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -67.29 -16.77 64.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.324 0.65 . . . . 0.0 112.071 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.23 -31.28 63.38 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.748 1.619 . . . . 0.0 112.47 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -66.32 -35.02 79.31 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.308 -0.87 . . . . 0.0 111.594 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 m -76.84 -30.39 56.31 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.145 0.978 . . . . 0.0 110.918 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -59.92 -59.88 4.72 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.802 1.641 . . . . 0.0 110.749 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 45.6 ptt85 -54.09 -42.53 69.48 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -70.54 -19.59 62.88 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 m -86.51 -44.23 12.12 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.791 0.836 . . . . 0.0 108.988 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 77.8 m -55.34 -46.28 76.4 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.926 1.69 . . . . 0.0 113.568 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.8 tp -59.13 -19.56 16.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.123 0.569 . . . . 0.0 112.482 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -107.38 6.41 28.3 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.03 2.132 . . . . 0.0 112.75 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.85 17.24 78.27 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.522 1.534 . . . . 0.0 115.725 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -116.05 153.39 31.77 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.851 1.326 . . . . 0.0 113.201 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.24 139.04 41.92 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.045 0.938 . . . . 0.0 110.384 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -62.82 -16.66 55.02 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.389 2.726 . . . . 0.0 116.252 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -135.58 -37.33 0.76 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -176.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.6 p -85.26 -6.13 59.28 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 121.821 2.1 . . . . 0.0 112.229 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.5 mmt 60.55 4.23 0.7 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 129.048 2.939 . . . . 0.0 116.708 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.7 m -57.66 144.59 37.16 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.298 1.039 . . . . 0.0 110.231 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.2 mt -120.12 136.67 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.634 1.174 . . . . 0.0 110.722 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.5 p -143.1 -173.54 3.94 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.621 2.768 . . . . 0.0 108.781 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.25 147.6 53.09 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 119.919 -1.738 . . . . 0.0 110.438 176.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.41 4.55 3.67 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.042 1.126 . . . . 0.0 114.042 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.5 p -75.41 150.32 38.36 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.918 1.287 . . . . 0.0 111.952 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.07 -41.87 89.01 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.379 -0.825 . . . . 0.0 112.08 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -59.19 -38.14 79.11 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.229 1.012 . . . . 0.0 112.838 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.48 -39.81 31.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.252 0.621 . . . . 0.0 111.685 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 75.0 mt -69.9 -42.96 72.67 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -61.46 -37.91 85.29 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.166 -0.959 . . . . 0.0 111.469 176.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.77 81.35 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.551 0.614 . . . . 0.0 111.461 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -70.86 -54.8 10.17 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.669 0.787 . . . . 0.0 111.33 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -64.24 -19.65 65.52 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.4 m -64.26 -25.48 68.07 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.268 -0.895 . . . . 0.0 111.852 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.7 pt -114.71 -13.31 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.405 1.482 . . . . 0.0 113.652 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 16.3 t -102.66 126.17 49.65 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.97 1.308 . . . . 0.0 112.038 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -131.14 11.36 5.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.316 1.846 . . . . 0.0 111.744 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.9 mt -76.25 -4.65 43.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.552 1.541 . . . . 0.0 112.069 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.8 p -54.03 10.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 131.17 3.788 . . . . 0.0 117.841 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.92 17.75 0.19 Allowed Glycine 0 CA--C 1.541 1.691 0 C-N-CA 126.511 2.005 . . . . 0.0 113.67 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.839 1.656 . . . . 0.0 115.382 -178.268 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 30.9 ttm . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.9 t -107.57 131.34 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.241 1.416 . . . . 0.0 110.866 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.6 t -62.78 144.36 56.58 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.868 1.267 . . . . 0.0 114.005 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.11 -19.72 65.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.474 1.91 . . . . 0.0 114.02 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -115.13 -72.55 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 125.317 1.447 . . . . 0.0 112.373 -175.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -68.23 -6.88 26.04 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.1 m80 47.66 32.8 2.69 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.367 1.867 . . . . 0.0 113.812 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -108.26 151.69 25.61 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.759 2.023 . . . . 0.0 109.771 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -75.64 138.3 41.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.469 0.708 . . . . 0.0 111.617 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.6 t -92.21 169.19 10.8 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.671 1.188 . . . . 0.0 111.378 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.35 -41.79 97.62 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.866 -1.147 . . . . 0.0 111.26 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -144.5 168.21 20.68 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.01 1.724 . . . . 0.0 111.833 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.17 -13.35 61.15 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.448 -0.782 . . . . 0.0 112.954 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -89.7 -44.87 9.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.144 1.377 . . . . 0.0 111.003 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.32 -23.06 67.16 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.11 0.964 . . . . 0.0 111.572 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.6 tp -53.51 -34.81 59.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.186 1.794 . . . . 0.0 112.832 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -66.37 -31.62 72.51 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.744 0.818 . . . . 0.0 112.029 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -80.12 -38.17 32.09 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.913 0.885 . . . . 0.0 110.448 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -56.44 -58.28 8.68 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.559 1.543 . . . . 0.0 110.871 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.75 -40.24 69.13 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -72.73 -24.95 61.04 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.141 0.976 . . . . 0.0 113.178 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 m -85.16 -43.59 13.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.59 0.756 . . . . 0.0 110.497 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.0 -44.23 87.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.401 1.481 . . . . 0.0 114.03 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -21.48 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 121.478 -0.764 . . . . 0.0 112.504 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -103.67 6.57 37.11 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.828 2.051 . . . . 0.0 113.055 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.72 21.46 77.92 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.256 1.408 . . . . 0.0 115.612 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -118.58 154.31 32.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.825 1.313 . . . . 0.0 113.943 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 39.0 t -80.0 136.71 53.93 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.95 1.3 . . . . 0.0 110.543 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.21 -13.08 38.3 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.111 2.541 . . . . 0.0 116.343 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -135.21 -45.09 0.7 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.5 p -81.37 -5.98 58.43 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 121.186 1.812 . . . . 0.0 112.011 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.5 mmt 61.12 10.57 2.98 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.79 2.836 . . . . 0.0 115.605 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.8 m -55.91 141.55 38.88 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.809 1.244 . . . . 0.0 110.507 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.0 mt -120.29 140.24 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.575 1.15 . . . . 0.0 110.878 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.0 t -150.82 -169.71 3.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.857 2.463 . . . . 0.0 108.91 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.13 149.49 50.46 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.057 -1.652 . . . . 0.0 110.976 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.95 3.24 7.06 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.3 p -71.26 150.73 44.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.14 0.976 . . . . 0.0 110.901 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.36 -34.34 76.49 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.151 -0.968 . . . . 0.0 112.173 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.4 m -64.9 -42.78 94.48 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.096 0.958 . . . . 0.0 112.786 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.96 72.74 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.099 0.56 . . . . 0.0 111.294 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.6 mt -67.48 -38.45 84.41 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.331 0.652 . . . . 0.0 111.447 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -63.01 -39.36 94.54 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.704 -1.248 . . . . 0.0 110.595 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.59 93.06 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.776 0.717 . . . . 0.0 110.866 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -62.09 -56.69 16.37 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.852 0.861 . . . . 0.0 110.989 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -66.07 -19.74 65.94 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.893 -1.129 . . . . 0.0 113.968 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.3 m -65.77 -19.98 66.09 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.375 -0.828 . . . . 0.0 112.208 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.4 pt -121.51 -0.91 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.871 1.668 . . . . 0.0 114.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.1 t -119.81 129.38 54.41 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.865 1.666 . . . . 0.0 112.724 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.52 9.09 4.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.064 1.746 . . . . 0.0 112.794 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.11 -5.97 53.24 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.278 1.431 . . . . 0.0 112.349 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.0 p -53.55 1.6 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 130.49 3.516 . . . . 0.0 117.598 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.21 29.82 0.23 Allowed Glycine 0 CA--C 1.537 1.411 0 C-N-CA 126.928 2.204 . . . . 0.0 112.091 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.325 1.85 . . . . 0.0 114.8 -178.684 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.091 0 CA-C-O 121.568 0.699 . . . . 0.0 112.071 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.29 139.08 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.688 1.995 . . . . 0.0 109.47 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.3 t -60.14 144.65 49.32 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.551 1.14 . . . . 0.0 113.533 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -75.38 -13.47 60.4 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.723 1.209 . . . . 0.0 113.928 177.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.9 t -114.24 -61.21 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.221 1.408 . . . . 0.0 113.237 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 p -86.03 -0.95 56.82 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 44.71 38.31 2.72 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.49 1.916 . . . . 0.0 113.544 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -114.21 158.74 20.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.861 2.064 . . . . 0.0 110.987 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -75.49 160.07 30.6 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.83 1.252 . . . . 0.0 112.155 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.9 t -132.97 164.59 26.63 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.502 1.921 . . . . 0.0 109.481 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.24 -36.17 79.24 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.756 -1.215 . . . . 0.0 113.501 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -141.46 161.46 37.85 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.384 1.074 . . . . 0.0 112.163 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.23 -16.63 63.07 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.633 0.773 . . . . 0.0 113.031 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -85.84 -46.41 10.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.728 1.211 . . . . 0.0 111.081 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -66.12 -19.0 65.71 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.242 0.617 . . . . 0.0 112.287 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 tp -56.98 -29.71 63.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.069 1.748 . . . . 0.0 112.928 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -71.18 -44.25 65.83 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.714 0.805 . . . . 0.0 110.32 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.7 m -63.47 -35.65 81.16 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.573 -0.704 . . . . 0.0 110.741 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -59.13 -60.68 3.47 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.362 1.465 . . . . 0.0 110.268 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -59.51 -37.69 78.97 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -65.42 -19.61 66.01 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.76 0.824 . . . . 0.0 113.068 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 m -96.23 -42.43 8.19 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.349 1.06 . . . . 0.0 110.088 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.7 m -55.95 -41.48 74.73 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.704 1.602 . . . . 0.0 113.38 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.8 tp -58.43 -19.51 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.839 0.856 . . . . 0.0 112.5 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -111.13 8.4 21.71 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.044 2.138 . . . . 0.0 112.507 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.19 25.74 75.19 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.22 1.391 . . . . 0.0 114.81 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -121.62 152.71 39.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.209 1.404 . . . . 0.0 113.601 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -84.13 137.61 40.01 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 124.169 0.988 . . . . 0.0 110.333 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -61.66 -18.22 58.97 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.471 2.781 . . . . 0.0 116.527 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -136.19 -38.35 0.69 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 118.016 2.598 . . . . 0.0 118.016 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.2 p -81.88 -6.25 58.94 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 121.497 1.953 . . . . 0.0 112.262 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.4 mmt 57.68 18.35 4.69 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.386 2.674 . . . . 0.0 115.561 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.8 m -63.88 143.68 57.67 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 173.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.6 mt -124.89 138.47 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.658 1.183 . . . . 0.0 110.41 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.9 t -152.49 -167.51 2.77 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.95 2.5 . . . . 0.0 109.119 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.13 150.3 48.53 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.057 -1.652 . . . . 0.0 111.246 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.81 3.09 8.66 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.4 p -72.42 151.37 42.64 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.622 1.169 . . . . 0.0 111.627 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -62.25 -36.21 81.34 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.145 -0.972 . . . . 0.0 112.0 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.9 m -62.87 -41.22 99.3 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.213 1.005 . . . . 0.0 112.844 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.1 -42.53 59.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.272 0.629 . . . . 0.0 111.687 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.37 -43.01 78.31 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.533 0.733 . . . . 0.0 112.611 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.43 -39.03 86.0 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.533 1.06 . . . . 0.0 111.382 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.13 79.48 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.44 0.564 . . . . 0.0 111.695 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -71.82 -53.64 12.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.538 0.735 . . . . 0.0 111.49 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -63.56 -19.8 65.11 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m -64.18 -19.94 65.67 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.623 -0.673 . . . . 0.0 112.497 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 pt -123.07 -1.22 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.644 1.577 . . . . 0.0 114.53 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 14.5 t -113.03 135.44 53.78 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.52 1.528 . . . . 0.0 112.46 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 6.11 4.0 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.918 1.687 . . . . 0.0 113.543 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.28 -9.47 58.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.758 0.823 . . . . 0.0 112.002 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 41.7 p -49.6 -18.15 0.4 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 128.864 2.866 . . . . 0.0 116.767 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.15 26.61 2.31 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.404 1.478 . . . . 0.0 113.308 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.998 1.719 . . . . 0.0 115.183 -179.082 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 ttt . . . . . 0 CA--C 1.546 0.811 0 CA-C-O 120.933 0.397 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.4 t -121.09 140.06 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.909 1.284 . . . . 0.0 112.591 -174.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.74 161.18 28.91 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.29 1.836 . . . . 0.0 113.362 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -85.06 -14.67 46.52 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.3 t -122.83 -62.08 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.268 1.027 . . . . 0.0 113.381 -174.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p -85.78 -0.46 55.31 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 44.7 30.09 0.49 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.346 2.258 . . . . 0.0 114.162 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -77.61 159.89 28.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.985 1.714 . . . . 0.0 111.323 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -108.89 90.39 3.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.712 1.605 . . . . 0.0 108.541 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.0 t -55.72 158.7 3.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.498 1.119 . . . . 0.0 112.817 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -54.41 -31.78 55.85 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.708 1.203 . . . . 0.0 113.747 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -141.36 158.08 44.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.401 1.48 . . . . 0.0 110.601 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.95 -10.77 60.16 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -90.79 -46.85 7.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.114 1.766 . . . . 0.0 110.931 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -27.37 69.0 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.731 1.213 . . . . 0.0 110.972 176.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.62 -33.45 64.01 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.018 1.727 . . . . 0.0 112.719 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.53 -33.29 75.34 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.503 -0.748 . . . . 0.0 111.514 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.4 m -78.63 -36.56 43.85 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.515 0.726 . . . . 0.0 110.169 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -54.58 -60.05 3.88 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.769 1.628 . . . . 0.0 110.663 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -58.0 -29.89 65.63 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -80.07 -23.12 41.56 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.068 0.947 . . . . 0.0 112.862 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 m -87.74 -39.2 15.14 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.11 0.964 . . . . 0.0 111.132 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.5 m -56.29 -44.95 80.32 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.34 1.456 . . . . 0.0 113.94 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -22.52 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.792 0.837 . . . . 0.0 112.021 177.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -101.38 6.4 42.6 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.488 1.915 . . . . 0.0 112.659 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.04 26.46 72.37 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.426 1.489 . . . . 0.0 114.587 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -122.51 154.7 37.51 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.287 1.435 . . . . 0.0 113.492 -174.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.0 t -83.38 137.5 42.18 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.632 1.173 . . . . 0.0 110.398 173.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.93 -14.7 44.68 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.197 2.598 . . . . 0.0 116.173 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -133.4 -45.34 0.83 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -177.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 p -82.33 -9.52 59.44 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 121.247 1.839 . . . . 0.0 111.941 176.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 56.0 mtt 57.54 23.46 9.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.717 2.407 . . . . 0.0 114.986 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.3 m -60.67 143.29 54.48 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.3 mt -121.89 138.23 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.283 1.033 . . . . 0.0 110.536 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.5 t -153.17 -170.46 3.62 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.449 2.3 . . . . 0.0 109.562 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.5 142.46 58.13 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.206 -1.559 . . . . 0.0 111.103 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.59 46.17 0.53 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.703 1.201 . . . . 0.0 112.775 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 39.6 p -125.1 152.09 44.85 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.01 1.724 . . . . 0.0 111.736 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -57.22 -42.54 81.55 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.55 0.74 . . . . 0.0 112.583 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 m -58.5 -40.1 81.88 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.819 0.848 . . . . 0.0 112.751 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.31 -38.7 30.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.963 0.905 . . . . 0.0 112.938 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.1 mt -76.65 -39.46 52.2 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.512 -0.742 . . . . 0.0 112.489 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -62.28 -36.94 83.65 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.888 1.222 . . . . 0.0 110.366 174.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.88 99.26 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.336 0.517 . . . . 0.0 110.894 174.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -60.42 -56.52 20.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.792 0.837 . . . . 0.0 110.894 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -66.46 -19.77 65.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -64.95 -20.34 66.42 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.357 -0.84 . . . . 0.0 112.286 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.4 pt -121.89 -1.64 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.823 1.649 . . . . 0.0 113.93 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.7 t -119.35 122.04 40.92 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.643 1.577 . . . . 0.0 113.097 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -126.33 5.52 7.0 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.246 1.818 . . . . 0.0 112.385 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 99.3 mt -66.56 -13.57 61.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.462 1.105 . . . . 0.0 111.215 172.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.2 p -55.24 -11.9 0.86 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 128.943 2.897 . . . . 0.0 114.801 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.99 26.62 2.34 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 126.087 1.803 . . . . 0.0 113.253 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.192 1.397 . . . . 0.0 114.509 -179.756 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.6 ttp . . . . . 0 CA--C 1.546 0.791 0 CA-C-O 122.364 1.078 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.3 t -110.71 134.66 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 127.148 2.179 . . . . 0.0 110.919 -175.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.38 141.56 56.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.996 1.319 . . . . 0.0 113.339 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -69.83 -12.29 61.51 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.77 -73.17 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.203 1.401 . . . . 0.0 111.846 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 p -70.49 -5.19 26.95 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.2 m80 47.61 36.95 5.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.982 1.713 . . . . 0.0 113.997 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -113.83 150.72 33.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.964 2.105 . . . . 0.0 110.207 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.33 140.44 54.31 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.745 0.818 . . . . 0.0 111.197 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.484 ' HG ' ' CD2' ' A' ' 64' ' ' HIS . 7.9 t -96.59 171.89 8.26 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.836 0.855 . . . . 0.0 111.843 177.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -71.72 -38.79 70.46 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.796 -1.19 . . . . 0.0 112.332 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -145.51 164.63 31.02 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.135 1.374 . . . . 0.0 111.755 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.3 -14.05 62.42 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.36 -45.18 9.18 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.425 1.49 . . . . 0.0 110.848 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -67.33 -20.55 65.61 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.119 0.568 . . . . 0.0 112.193 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.9 tp -52.48 -36.72 55.63 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.26 1.824 . . . . 0.0 113.046 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.72 -46.32 72.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.291 1.036 . . . . 0.0 110.988 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 m -63.98 -34.95 79.14 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.46 -0.775 . . . . 0.0 111.155 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.484 ' CD2' ' HG ' ' A' ' 55' ' ' CYS . 26.9 t-80 -60.76 -60.33 3.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.365 1.466 . . . . 0.0 110.445 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -57.95 -38.6 76.28 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -70.01 -19.75 63.31 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 m -88.14 -46.24 9.45 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.531 -0.73 . . . . 0.0 109.471 174.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.0 m -54.61 -45.82 73.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.851 1.66 . . . . 0.0 113.651 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.6 tp -58.19 -19.56 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.813 0.845 . . . . 0.0 112.559 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -110.23 5.57 21.91 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.904 2.082 . . . . 0.0 113.036 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.26 11.37 85.01 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.842 1.211 . . . . 0.0 115.576 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -106.49 159.86 15.84 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.793 1.297 . . . . 0.0 112.638 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 48.2 t -107.26 131.32 21.8 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 126.371 1.869 . . . . 0.0 110.9 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -57.74 154.61 36.44 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.467 2.111 . . . . 0.0 112.756 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 51.5 -24.8 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 120.109 3.374 . . . . 0.0 120.109 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.96 -15.48 18.29 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 121.009 1.731 . . . . 0.0 111.341 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 mpt? 59.39 11.21 2.11 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.734 2.814 . . . . 0.0 116.377 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 95.0 m -57.7 142.57 44.72 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.598 1.09 . . . . 0.0 110.466 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.0 mt -122.65 140.6 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.504 1.122 . . . . 0.0 111.287 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.0 t -150.35 -168.82 3.21 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.142 2.577 . . . . 0.0 109.034 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.19 148.78 51.34 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 119.995 -1.691 . . . . 0.0 110.975 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.01 4.42 5.47 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.7 p -75.03 145.24 42.58 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.694 1.198 . . . . 0.0 111.057 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -40.32 72.3 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.275 -0.89 . . . . 0.0 113.396 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 56.3 m -63.52 -41.44 98.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.678 1.191 . . . . 0.0 112.723 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.68 -40.76 69.38 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.125 0.57 . . . . 0.0 111.439 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.26 -46.03 78.51 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.603 0.761 . . . . 0.0 111.495 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -57.9 -40.07 79.42 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.812 0.845 . . . . 0.0 111.684 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.47 71.02 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.363 0.528 . . . . 0.0 111.976 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -77.7 -51.39 10.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.979 0.511 . . . . 0.0 111.319 175.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.55 -20.96 65.19 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -62.76 -21.33 65.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.695 0.798 . . . . 0.0 112.406 173.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.31 -1.33 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 126.152 1.781 . . . . 0.0 114.089 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.2 t -120.31 130.44 54.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.228 1.411 . . . . 0.0 113.839 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -132.89 6.69 3.98 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.221 1.808 . . . . 0.0 112.859 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.95 -18.97 64.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.076 0.951 . . . . 0.0 111.047 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.3 p -44.98 -23.37 0.14 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 129.687 3.195 . . . . 0.0 116.178 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.94 31.76 1.32 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.618 1.58 . . . . 0.0 112.916 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 125.335 1.454 . . . . 0.0 112.369 -177.483 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.6 ttt . . . . . 0 CA--C 1.549 0.922 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 63.7 t -99.94 131.43 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.011 1.324 . . . . 0.0 110.746 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.59 146.31 52.27 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.585 1.554 . . . . 0.0 113.588 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -70.8 -16.0 62.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.11 1.364 . . . . 0.0 114.66 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -112.96 -73.58 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.019 1.328 . . . . 0.0 112.153 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.5 p -70.55 -3.98 20.74 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.8 m80 45.71 39.5 5.19 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.435 1.894 . . . . 0.0 113.501 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -121.72 168.3 11.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.462 2.305 . . . . 0.0 110.796 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -86.79 167.96 13.93 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.829 1.252 . . . . 0.0 111.559 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.8 t -128.8 171.62 12.08 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.136 1.775 . . . . 0.0 110.075 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -54.98 -38.78 68.27 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.128 -0.982 . . . . 0.0 112.144 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.74 162.99 34.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.736 1.614 . . . . 0.0 110.555 175.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.48 -11.77 61.1 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -94.14 -43.64 8.38 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.5 1.52 . . . . 0.0 111.102 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.62 -20.72 65.9 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.338 0.655 . . . . 0.0 111.529 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.0 tp -54.34 -30.24 50.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.559 1.943 . . . . 0.0 112.856 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.88 -37.64 88.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.741 0.817 . . . . 0.0 111.416 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -73.86 -35.97 64.8 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.119 -0.988 . . . . 0.0 110.144 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -57.26 -60.21 3.96 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.254 1.422 . . . . 0.0 111.066 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -57.78 -37.51 73.85 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.9 -22.02 62.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.244 0.617 . . . . 0.0 112.449 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 m -84.92 -46.22 11.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.469 0.708 . . . . 0.0 109.625 174.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.0 m -51.8 -47.73 64.15 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.431 1.492 . . . . 0.0 113.946 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.9 tp -59.06 -19.31 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 124.119 0.968 . . . . 0.0 112.675 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -111.11 6.59 20.92 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 127.168 2.187 . . . . 0.0 112.843 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.11 13.7 82.49 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.77 1.176 . . . . 0.0 114.906 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -99.5 157.35 16.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.808 1.643 . . . . 0.0 112.325 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 42.7 t -104.75 133.74 20.01 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.832 1.653 . . . . 0.0 108.647 171.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -64.87 155.42 67.81 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 121.806 1.671 . . . . 0.0 111.426 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 50.73 -6.71 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 p -120.62 -14.92 8.55 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.843 1.657 . . . . 0.0 111.893 173.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 54.4 21.88 3.49 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.409 2.684 . . . . 0.0 116.144 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.8 m -63.94 140.17 58.84 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.055 -1.028 . . . . 0.0 108.905 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.9 mm -111.43 134.68 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.215 1.006 . . . . 0.0 111.163 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.2 p -145.49 -175.15 4.61 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.722 2.809 . . . . 0.0 109.044 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -69.78 145.99 51.77 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 119.975 -1.703 . . . . 0.0 111.007 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.11 40.45 0.21 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.696 1.599 . . . . 0.0 114.011 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.9 p -122.58 148.92 44.65 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.206 1.802 . . . . 0.0 110.801 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -57.4 -38.12 73.79 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.098 -1.001 . . . . 0.0 113.074 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m -61.23 -39.86 91.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.981 0.912 . . . . 0.0 112.877 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.32 -42.75 22.42 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.713 0.805 . . . . 0.0 112.38 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.23 -46.43 77.23 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.063 0.945 . . . . 0.0 112.049 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -58.96 -36.75 75.35 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.1 -1.0 . . . . 0.0 112.584 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.43 71.25 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.853 -0.529 . . . . 0.0 112.02 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -75.07 -48.03 25.91 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.8 -0.563 . . . . 0.0 111.03 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -62.8 -20.44 65.03 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.969 -1.082 . . . . 0.0 113.579 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.8 m -64.24 -19.97 65.73 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.487 0.715 . . . . 0.0 112.276 174.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.1 pt -126.27 -5.79 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 126.14 1.776 . . . . 0.0 114.101 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 19.5 t -107.39 133.48 51.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.432 1.493 . . . . 0.0 113.341 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -128.17 -2.36 5.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.082 2.153 . . . . 0.0 113.377 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.95 -7.54 53.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.04 1.336 . . . . 0.0 113.334 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.5 p -50.41 -18.04 0.57 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.37 2.268 . . . . 0.0 116.187 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.22 34.56 1.4 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.395 1.95 . . . . 0.0 112.165 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.724 2.009 . . . . 0.0 115.176 -178.753 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.8 t -91.31 129.61 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.422 1.489 . . . . 0.0 110.551 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.99 143.58 42.68 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.884 1.274 . . . . 0.0 113.7 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.32 -16.47 63.56 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.359 1.464 . . . . 0.0 114.601 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -116.09 -58.71 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.113 1.365 . . . . 0.0 113.592 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.2 p -84.23 0.35 49.18 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 41.48 40.31 1.28 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.658 1.983 . . . . 0.0 114.25 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -116.52 147.74 41.49 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.272 2.229 . . . . 0.0 109.458 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.74 129.14 38.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.376 -0.827 . . . . 0.0 110.156 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.459 ' HG ' ' CD2' ' A' ' 64' ' ' HIS . 7.5 t -74.44 163.54 27.65 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.35 -45.55 93.06 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.392 1.077 . . . . 0.0 111.371 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.77 165.49 28.67 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.619 1.568 . . . . 0.0 111.522 177.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.93 -18.04 64.64 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -83.67 -43.62 15.37 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.778 1.631 . . . . 0.0 111.057 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -72.44 -17.84 61.75 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.4 tp -43.03 -50.21 5.99 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.823 2.449 . . . . 0.0 115.383 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -73.98 -40.25 63.12 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.476 -0.765 . . . . 0.0 111.899 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.9 m -59.61 -32.61 70.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.305 0.642 . . . . 0.0 111.529 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.459 ' CD2' ' HG ' ' A' ' 55' ' ' CYS . 29.1 t-80 -61.83 -60.24 3.95 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.985 1.314 . . . . 0.0 111.072 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -57.94 -35.38 71.03 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.83 -20.19 65.61 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.26 1.024 . . . . 0.0 113.484 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.8 m -102.2 -36.18 8.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.945 0.898 . . . . 0.0 110.863 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 79.0 m -55.51 -45.12 77.13 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.54 1.136 . . . . 0.0 112.393 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.63 -19.44 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 124.363 1.065 . . . . 0.0 112.915 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -110.17 5.96 22.34 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 127.065 2.146 . . . . 0.0 112.973 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.84 26.21 74.66 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.778 1.18 . . . . 0.0 114.738 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -120.64 146.27 46.57 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.384 1.474 . . . . 0.0 113.408 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.5 t -76.84 134.81 68.21 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-O 118.74 -0.648 . . . . 0.0 109.563 172.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.53 -12.69 36.19 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.073 2.516 . . . . 0.0 116.006 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -136.43 -43.39 0.62 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.44 -6.4 59.27 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 121.226 1.83 . . . . 0.0 112.305 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.8 mmt 59.09 18.67 6.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.394 2.678 . . . . 0.0 115.365 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 m -58.11 138.28 56.24 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.677 0.791 . . . . 0.0 109.742 174.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.6 mm -113.22 135.13 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.939 1.296 . . . . 0.0 110.723 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.7 t -156.8 -168.9 2.8 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.083 2.153 . . . . 0.0 109.339 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -69.63 153.65 43.13 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.164 -1.585 . . . . 0.0 111.661 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.67 4.61 9.1 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.948 0.899 . . . . 0.0 113.323 177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.2 p -78.37 153.12 31.89 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.172 1.389 . . . . 0.0 112.713 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.94 -43.04 95.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.778 0.831 . . . . 0.0 112.013 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m -59.13 -36.18 74.77 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.822 0.849 . . . . 0.0 112.705 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.22 -41.29 25.42 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.682 0.793 . . . . 0.0 112.218 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.45 -38.59 62.94 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -63.32 -40.82 98.39 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.584 -1.322 . . . . 0.0 110.629 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.0 75.04 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.045 0.538 . . . . 0.0 111.461 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -65.76 -56.83 9.93 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.928 0.891 . . . . 0.0 111.191 174.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -66.19 -20.66 66.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -64.39 -19.73 65.68 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.168 -0.958 . . . . 0.0 112.453 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.7 pt -121.83 -2.02 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.59 1.556 . . . . 0.0 114.206 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.5 t -118.12 125.33 50.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.558 1.543 . . . . 0.0 112.744 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -130.76 16.15 5.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.236 1.814 . . . . 0.0 112.2 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.15 -12.18 59.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.135 1.374 . . . . 0.0 110.874 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 p -55.29 0.59 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 130.53 3.532 . . . . 0.0 117.418 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.18 28.83 0.89 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.073 1.797 . . . . 0.0 112.807 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.094 1.358 . . . . 0.0 112.691 -177.765 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.5 ttt . . . . . 0 CA--C 1.552 1.024 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.2 t -103.26 133.44 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.303 1.441 . . . . 0.0 111.495 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -63.73 144.98 56.6 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.624 1.57 . . . . 0.0 113.235 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -70.2 -12.0 61.29 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -116.02 -71.51 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 124.812 1.245 . . . . 0.0 112.199 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 p -72.7 -2.16 19.15 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.2 m80 43.33 40.19 2.46 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.477 1.911 . . . . 0.0 113.564 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -123.05 164.55 18.38 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.785 2.434 . . . . 0.0 110.46 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.43 173.68 12.36 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.803 1.241 . . . . 0.0 112.222 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.6 t -132.88 164.19 27.46 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.349 1.86 . . . . 0.0 109.181 176.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -55.38 -32.05 62.29 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.253 -0.904 . . . . 0.0 112.317 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.24 158.1 44.1 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.447 1.499 . . . . 0.0 110.769 174.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.72 -11.09 60.48 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -90.78 -45.28 8.91 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.491 1.516 . . . . 0.0 111.198 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -66.44 -17.13 64.61 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.342 0.657 . . . . 0.0 112.089 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.2 tp -55.15 -31.91 61.69 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.99 1.716 . . . . 0.0 112.693 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.97 -34.56 76.79 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.113 -0.992 . . . . 0.0 111.708 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 m -75.25 -33.64 61.33 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.361 -0.837 . . . . 0.0 110.054 173.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -56.09 -59.4 4.98 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.568 1.547 . . . . 0.0 110.288 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -56.69 -38.81 72.76 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -69.51 -19.9 63.72 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.747 0.819 . . . . 0.0 112.872 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -91.19 -43.03 10.1 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.159 0.984 . . . . 0.0 109.699 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.6 m -55.21 -45.6 75.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.851 1.66 . . . . 0.0 113.355 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.9 tp -59.03 -19.46 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.653 0.781 . . . . 0.0 112.346 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -110.6 7.24 22.34 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.269 2.228 . . . . 0.0 112.599 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.36 20.62 78.35 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.577 1.56 . . . . 0.0 115.761 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -117.53 158.02 25.29 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.349 1.575 . . . . 0.0 113.641 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.9 t -89.96 137.01 28.39 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 125.126 1.37 . . . . 0.0 110.56 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.55 -13.94 42.35 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.432 2.755 . . . . 0.0 116.644 -177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -132.26 -42.61 0.97 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -176.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.4 p -84.02 -6.2 59.37 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 121.153 1.797 . . . . 0.0 112.158 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.38 7.32 1.26 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.746 2.818 . . . . 0.0 115.918 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 56.6 m -57.91 144.72 38.1 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.598 1.159 . . . . 0.0 110.477 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.5 mt -121.75 138.21 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.552 1.141 . . . . 0.0 110.814 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.2 p -142.22 -174.27 4.06 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.948 2.899 . . . . 0.0 108.715 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 mp0 -65.62 150.48 48.37 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.174 -1.579 . . . . 0.0 109.256 172.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.31 7.18 3.68 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.7 p -78.52 151.06 32.74 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.923 1.289 . . . . 0.0 112.205 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.35 -41.68 89.76 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.321 -0.862 . . . . 0.0 112.215 178.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.4 m -59.41 -38.12 79.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.265 1.026 . . . . 0.0 112.701 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.04 -39.66 29.38 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.521 0.728 . . . . 0.0 112.068 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.4 mt -72.33 -43.04 64.7 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -59.22 -40.94 87.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.617 1.098 . . . . 0.0 111.323 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.39 71.26 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.048 0.539 . . . . 0.0 111.928 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.05 -43.73 42.49 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.383 0.673 . . . . 0.0 112.385 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -68.98 -19.57 64.16 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.109 -1.619 . . . . 0.0 112.814 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.3 m -73.25 -19.45 61.06 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.306 -0.872 . . . . 0.0 110.412 169.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -95.9 -30.48 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 128.949 2.9 . . . . 0.0 111.804 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.6 t -114.24 141.31 47.72 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.169 1.787 . . . . 0.0 114.911 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -139.01 7.24 2.44 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.58 1.952 . . . . 0.0 112.57 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 99.4 mt -75.62 -5.97 48.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.955 1.302 . . . . 0.0 112.816 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 64.0 p -55.5 5.11 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 129.921 3.289 . . . . 0.0 117.57 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.74 28.29 0.19 Allowed Glycine 0 CA--C 1.535 1.321 0 C-N-CA 126.491 1.996 . . . . 0.0 112.48 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.63 1.572 . . . . 0.0 114.662 -178.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 CA--C 1.548 0.868 0 CA-C-O 121.401 0.619 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.3 t -125.38 138.55 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.398 1.479 . . . . 0.0 111.066 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.41 150.66 21.78 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.421 1.488 . . . . 0.0 114.085 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.25 -14.26 57.63 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.649 1.18 . . . . 0.0 113.898 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.85 -65.53 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.984 1.314 . . . . 0.0 113.13 -177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.64 -9.19 59.6 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.309 1.4 t60 49.94 38.16 15.58 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.412 1.885 . . . . 0.0 114.771 -177.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -109.78 160.22 16.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.526 1.93 . . . . 0.0 110.645 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -75.73 160.23 30.25 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.61 1.164 . . . . 0.0 111.612 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.1 t -129.11 165.84 20.47 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.539 1.535 . . . . 0.0 111.061 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -53.43 -43.75 68.27 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.243 1.417 . . . . 0.0 113.013 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 p -143.8 165.28 28.13 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.126 1.37 . . . . 0.0 111.318 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.47 -14.31 62.91 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -90.19 -45.2 9.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.352 1.461 . . . . 0.0 110.512 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -66.43 -17.63 64.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.526 0.731 . . . . 0.0 111.878 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.24 -34.14 68.28 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.872 1.669 . . . . 0.0 112.554 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.92 -45.39 82.04 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.362 0.665 . . . . 0.0 110.209 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.1 m -62.02 -31.21 71.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.656 1.182 . . . . 0.0 111.591 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -68.02 -60.61 2.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.064 1.346 . . . . 0.0 110.497 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -59.64 -39.84 85.69 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -68.2 -19.62 64.78 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.062 0.846 . . . . 0.0 113.008 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 m -87.15 -46.41 9.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.526 0.73 . . . . 0.0 109.825 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 93.2 m -53.11 -44.52 67.7 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.173 1.389 . . . . 0.0 113.832 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.9 tp -58.93 -19.56 15.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.823 0.849 . . . . 0.0 112.733 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -113.2 7.26 17.8 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.966 2.107 . . . . 0.0 112.742 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.57 8.7 84.37 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.353 1.454 . . . . 0.0 115.987 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -90.82 153.84 19.94 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.699 1.599 . . . . 0.0 111.897 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 52.8 t -107.61 131.39 21.76 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.516 1.926 . . . . 0.0 108.688 171.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -64.32 155.86 63.23 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.128 1.885 . . . . 0.0 111.755 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 53.42 -40.85 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 130.224 3.41 . . . . 0.0 119.249 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -84.93 -13.62 50.23 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 121.781 2.082 . . . . 0.0 111.914 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.3 mmt 57.42 24.59 10.35 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.787 2.835 . . . . 0.0 116.657 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.2 m -66.1 147.1 53.85 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.308 -0.87 . . . . 0.0 109.374 173.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.0 mt -131.7 139.38 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.385 1.074 . . . . 0.0 110.256 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.4 t -148.33 -167.73 2.89 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.744 1.618 . . . . 0.0 112.607 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -53.63 -8.08 0.14 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 129.812 3.245 . . . . 0.0 118.982 -174.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 65.82 8.63 5.43 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.2 p -90.45 150.55 21.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.356 1.062 . . . . 0.0 110.308 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.74 -32.12 67.13 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.931 -1.105 . . . . 0.0 112.807 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -68.23 -44.98 74.5 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.089 0.956 . . . . 0.0 111.848 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.68 78.93 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.226 0.61 . . . . 0.0 111.965 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.23 -48.11 58.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -59.9 -37.0 78.15 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.341 0.973 . . . . 0.0 111.849 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.15 -35.42 77.06 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.536 0.607 . . . . 0.0 111.699 175.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -72.71 -49.1 33.45 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.775 -0.578 . . . . 0.0 110.982 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -63.35 -19.85 65.0 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.3 m -63.45 -20.98 66.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.466 0.706 . . . . 0.0 111.978 172.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.4 pt -123.58 -5.0 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 C-N-CA 126.409 1.884 . . . . 0.0 114.017 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 15.5 t -116.67 125.13 51.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.485 1.514 . . . . 0.0 114.309 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -128.78 11.79 6.19 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.716 1.606 . . . . 0.0 112.965 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.0 mp -75.34 -8.89 57.86 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.857 1.263 . . . . 0.0 111.37 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.4 p -47.05 -16.34 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 130.387 3.475 . . . . 0.0 117.96 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.26 32.65 1.96 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.717 1.627 . . . . 0.0 112.58 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.346 0 CA-C-O 115.895 -2.002 . . . . 0.0 115.727 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt . . . . . 0 CA--C 1.548 0.892 0 CA-C-O 121.066 0.46 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 t -126.46 137.94 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.167 1.387 . . . . 0.0 111.53 -175.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.64 151.12 25.55 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.75 1.62 . . . . 0.0 114.085 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -83.29 -9.34 59.16 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.735 1.214 . . . . 0.0 114.079 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -116.71 -60.82 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.996 1.318 . . . . 0.0 113.348 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.0 p -86.38 -7.23 58.62 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.324 1.8 t60 47.71 39.96 11.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.395 1.878 . . . . 0.0 115.308 -176.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -114.5 160.35 19.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.571 1.948 . . . . 0.0 110.389 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.7 170.5 16.56 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.554 1.142 . . . . 0.0 112.539 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.3 t -134.78 169.82 16.78 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.963 1.705 . . . . 0.0 110.786 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -55.6 -40.65 72.35 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.75 1.22 . . . . 0.0 112.302 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 p -142.59 164.31 30.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.621 1.568 . . . . 0.0 111.358 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.62 -13.45 61.76 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 121.566 -0.709 . . . . 0.0 112.903 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -88.28 -46.28 9.34 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.567 1.547 . . . . 0.0 110.769 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -18.28 65.18 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.455 1.102 . . . . 0.0 111.661 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.37 -31.68 66.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.396 1.478 . . . . 0.0 112.286 175.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.16 -46.06 82.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.479 -0.763 . . . . 0.0 110.028 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 m -62.42 -31.93 72.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.021 0.929 . . . . 0.0 111.239 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -64.96 -60.65 2.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.007 1.323 . . . . 0.0 110.518 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -59.16 -41.02 87.39 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.89 -19.58 64.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.008 0.822 . . . . 0.0 113.02 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 m -87.26 -46.14 9.98 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.432 0.693 . . . . 0.0 109.477 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -53.67 -45.23 70.22 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.525 1.53 . . . . 0.0 113.575 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.1 tp -58.33 -19.51 13.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.723 0.809 . . . . 0.0 112.623 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -110.55 6.35 21.86 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.189 2.196 . . . . 0.0 112.852 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.76 15.99 80.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.873 1.225 . . . . 0.0 115.001 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.09 161.28 15.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.308 1.443 . . . . 0.0 112.579 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 50.9 t -108.52 136.9 19.87 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 126.393 1.877 . . . . 0.0 110.396 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -65.25 157.15 59.22 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.39 2.06 . . . . 0.0 111.407 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 52.78 -28.76 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 129.787 3.235 . . . . 0.0 119.564 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.1 p -96.47 -18.24 19.99 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 121.604 2.002 . . . . 0.0 110.985 172.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.3 mtt 58.77 14.39 3.19 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 128.558 2.743 . . . . 0.0 116.383 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.4 m -60.82 144.35 52.79 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.054 0.942 . . . . 0.0 110.294 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.7 mt -121.45 142.15 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.663 1.185 . . . . 0.0 111.403 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.2 t -149.42 -167.11 2.74 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 128.616 2.767 . . . . 0.0 108.455 176.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.76 148.86 48.62 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 119.842 -1.786 . . . . 0.0 111.001 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.29 5.23 4.72 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.9 p -76.46 149.32 36.82 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.518 1.127 . . . . 0.0 111.626 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -58.24 -41.67 84.68 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.161 -0.962 . . . . 0.0 112.191 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 m -59.72 -39.4 84.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.185 0.994 . . . . 0.0 112.754 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.78 -38.45 46.68 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.454 0.701 . . . . 0.0 111.89 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.7 mt -69.97 -47.21 63.18 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.785 -0.572 . . . . 0.0 111.758 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -59.73 -36.15 76.0 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.145 0.884 . . . . 0.0 111.701 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.64 85.46 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.532 0.605 . . . . 0.0 111.18 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -72.7 -46.74 52.14 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.834 -0.542 . . . . 0.0 111.447 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -64.32 -20.71 66.27 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.478 -1.389 . . . . 0.0 113.717 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t -74.18 -19.68 60.46 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.088 0.955 . . . . 0.0 112.028 171.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.95 -34.46 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 127.838 2.455 . . . . 0.0 112.053 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.7 t -97.87 147.33 24.55 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -169.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.72 7.48 1.68 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.119 2.168 . . . . 0.0 112.918 175.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.1 mp -83.83 -6.76 59.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.239 1.416 . . . . 0.0 112.881 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.4 p -48.74 -17.68 0.2 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 128.371 2.669 . . . . 0.0 117.194 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.83 30.79 1.37 Allowed Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.812 1.672 . . . . 0.0 112.685 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.5 ptt85 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 125.982 1.713 . . . . 0.0 114.886 -179.285 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt . . . . . 0 CA--C 1.553 1.076 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.8 t -117.86 139.19 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.125 1.37 . . . . 0.0 111.9 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.3 t -60.94 145.28 51.03 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.087 1.755 . . . . 0.0 113.636 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.31 -13.8 60.45 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 80.2 t -113.3 -61.44 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.737 1.215 . . . . 0.0 113.441 -176.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 p -89.03 0.7 56.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 45.11 40.13 4.51 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.505 1.922 . . . . 0.0 113.682 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -116.37 166.44 12.06 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.098 2.159 . . . . 0.0 111.144 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -90.24 167.81 12.41 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.043 1.337 . . . . 0.0 111.856 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.1 t -133.17 164.05 27.91 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.195 1.798 . . . . 0.0 110.153 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.39 -33.75 68.16 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -142.5 158.56 43.56 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.887 1.275 . . . . 0.0 111.588 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.87 -16.46 64.1 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -48.97 9.06 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.509 1.524 . . . . 0.0 109.071 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.05 -15.2 63.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.824 0.85 . . . . 0.0 111.76 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.04 -28.93 70.13 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.89 1.276 . . . . 0.0 111.368 172.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.6 -36.27 70.76 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.813 -1.179 . . . . 0.0 109.613 172.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -67.57 -32.48 73.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.966 1.306 . . . . 0.0 110.691 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -64.35 -63.54 1.11 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.348 1.859 . . . . 0.0 111.357 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -57.39 -39.92 77.13 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -68.14 -18.51 64.64 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -94.65 -40.43 9.82 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.332 1.053 . . . . 0.0 110.258 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 92.0 m -55.54 -41.14 72.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.566 1.546 . . . . 0.0 113.525 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.8 tt -58.11 -19.8 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -111.43 9.6 21.42 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.276 1.831 . . . . 0.0 112.518 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.8 25.41 74.15 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.083 1.325 . . . . 0.0 114.673 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -117.23 148.77 41.35 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.276 1.43 . . . . 0.0 113.591 -174.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.2 t -79.95 135.61 55.1 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.097 0.959 . . . . 0.0 110.835 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -50.39 -33.21 36.65 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 124.556 3.504 . . . . 0.0 117.853 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -139.47 -25.95 0.83 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 -175.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -5.53 59.17 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.545 1.975 . . . . 0.0 112.813 177.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.7 mmt 62.66 13.4 6.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.261 2.624 . . . . 0.0 115.25 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.1 m -64.15 141.72 58.67 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.193 -0.942 . . . . 0.0 109.51 174.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.7 mt -129.3 139.29 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.848 1.259 . . . . 0.0 110.091 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.8 t -152.45 -166.73 2.55 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.764 2.426 . . . . 0.0 109.131 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -65.29 152.25 44.21 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.255 -1.528 . . . . 0.0 111.918 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.32 0.63 16.08 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.0 p -71.77 148.55 46.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.906 1.282 . . . . 0.0 111.824 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -38.99 79.45 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.554 -0.716 . . . . 0.0 112.34 177.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -60.12 -44.45 94.88 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.933 0.893 . . . . 0.0 112.952 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.5 -42.99 70.6 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.612 -0.68 . . . . 0.0 111.897 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.5 mt -68.79 -39.16 80.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.19 0.596 . . . . 0.0 112.21 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -62.94 -39.21 93.93 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.758 -1.214 . . . . 0.0 110.737 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.87 93.62 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.499 0.591 . . . . 0.0 110.868 174.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -63.25 -56.66 14.74 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.799 0.84 . . . . 0.0 111.104 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -65.16 -19.7 66.1 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.925 -1.109 . . . . 0.0 113.948 -177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.3 m -66.15 -19.94 65.99 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.383 -0.823 . . . . 0.0 112.273 172.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 pp -121.21 1.36 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.753 1.621 . . . . 0.0 114.212 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.8 t -124.78 134.15 52.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.965 1.706 . . . . 0.0 112.819 -178.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -128.89 -0.23 5.33 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.821 1.648 . . . . 0.0 113.724 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.3 -5.25 34.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.698 1.199 . . . . 0.0 112.537 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.2 p -50.51 -25.29 3.88 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.415 2.686 . . . . 0.0 115.685 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.22 33.84 0.38 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.648 1.118 . . . . 0.0 113.474 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.98 2.112 . . . . 0.0 110.824 -177.384 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 tpt . . . . . 0 CA--C 1.546 0.814 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 t -128.47 126.89 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.102 1.361 . . . . 0.0 111.482 -176.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.39 148.17 38.18 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.26 1.424 . . . . 0.0 114.655 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.81 -12.48 60.7 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.912 1.685 . . . . 0.0 114.284 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.86 -66.16 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.502 1.521 . . . . 0.0 112.917 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.58 -8.89 59.76 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.289 0.1 OUTLIER 52.33 34.68 15.4 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.249 1.42 . . . . 0.0 114.529 -177.857 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -118.27 159.29 23.61 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.505 2.322 . . . . 0.0 109.786 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -79.73 171.9 14.51 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.498 1.119 . . . . 0.0 113.145 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.7 t -123.9 178.43 5.27 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.155 2.182 . . . . 0.0 109.346 177.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.02 -35.79 77.82 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.451 -1.405 . . . . 0.0 111.059 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 p -140.64 160.4 40.11 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.858 1.663 . . . . 0.0 111.354 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.18 -13.38 62.16 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -86.73 -45.65 10.76 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.365 1.466 . . . . 0.0 111.11 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.13 -12.49 61.64 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.3 tp -57.55 -30.94 65.63 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.385 1.474 . . . . 0.0 112.087 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.83 -37.4 87.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.749 1.22 . . . . 0.0 111.023 175.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.8 m -77.0 -33.46 57.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.219 1.007 . . . . 0.0 110.825 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -56.16 -60.01 4.1 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.761 1.624 . . . . 0.0 110.003 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -56.83 -37.55 71.38 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.87 -19.28 65.01 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.407 1.083 . . . . 0.0 113.044 177.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.5 m -95.25 -41.01 9.27 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.676 1.191 . . . . 0.0 110.034 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.7 m -55.71 -41.57 73.99 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.767 1.627 . . . . 0.0 113.416 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.1 tt -58.22 -19.7 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 123.639 0.776 . . . . 0.0 112.98 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -112.4 9.93 19.77 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.462 1.905 . . . . 0.0 112.444 176.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.45 24.32 77.01 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.479 1.514 . . . . 0.0 115.761 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -119.11 152.52 36.36 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.705 1.602 . . . . 0.0 114.128 -175.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.1 t -81.42 138.09 48.26 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.779 1.232 . . . . 0.0 111.156 174.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -65.35 -13.26 38.84 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.694 2.929 . . . . 0.0 116.136 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -132.46 -43.81 0.92 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 116.976 2.213 . . . . 0.0 116.976 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.4 p -84.28 -5.98 59.33 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 121.351 1.887 . . . . 0.0 112.236 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.0 mmt 59.7 8.49 1.32 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.62 2.768 . . . . 0.0 115.621 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.1 m -59.83 145.1 46.73 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.589 1.156 . . . . 0.0 110.195 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.6 mt -125.01 138.01 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.967 1.307 . . . . 0.0 110.001 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.1 p -131.58 -84.01 0.51 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.913 1.285 . . . . 0.0 108.895 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -152.31 156.46 39.68 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.265 2.226 . . . . 0.0 109.837 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.79 -0.68 21.9 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.1 p -73.81 146.98 43.79 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.218 1.007 . . . . 0.0 111.37 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.84 -31.97 72.26 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.149 -0.97 . . . . 0.0 111.534 176.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.8 m -63.07 -44.0 96.99 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.477 1.111 . . . . 0.0 112.701 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.97 -41.33 59.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.226 0.61 . . . . 0.0 111.633 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.93 -44.72 76.18 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.641 0.776 . . . . 0.0 112.584 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.56 -39.34 87.65 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.023 1.283 . . . . 0.0 111.342 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.43 94.19 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.188 0.449 . . . . 0.0 111.105 175.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -69.47 -50.65 43.45 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.257 0.623 . . . . 0.0 111.942 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -65.45 -19.87 66.12 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.441 -1.412 . . . . 0.0 113.733 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -72.49 -19.56 61.53 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.539 0.736 . . . . 0.0 111.669 170.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.25 -35.36 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 127.977 2.511 . . . . 0.0 111.452 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.0 t -95.42 125.66 40.19 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 -169.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -117.81 1.85 12.16 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.88 2.072 . . . . 0.0 111.965 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.9 -5.56 41.86 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.403 1.481 . . . . 0.0 112.758 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.8 p -56.39 13.49 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 130.048 3.339 . . . . 0.0 117.414 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.26 23.54 0.11 Allowed Glycine 0 CA--C 1.54 1.603 0 C-N-CA 127.484 2.469 . . . . 0.0 112.742 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.545 1.538 . . . . 0.0 114.578 -178.584 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 ttt . . . . . 0 CA--C 1.545 0.777 0 CA-C-O 121.02 0.438 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.4 t -125.33 135.86 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.257 1.423 . . . . 0.0 111.467 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.8 t -64.09 144.74 56.88 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.036 1.335 . . . . 0.0 112.618 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.43 -14.05 62.39 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.0 1.32 . . . . 0.0 114.196 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.26 -71.75 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 125.207 1.403 . . . . 0.0 112.878 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 p -72.82 -4.01 29.01 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.251 51.6 m80 47.87 35.28 4.67 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.02 2.128 . . . . 0.0 114.326 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -118.62 163.09 17.33 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.333 2.253 . . . . 0.0 110.223 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -80.51 168.31 19.09 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.185 0.994 . . . . 0.0 112.847 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.8 t -119.32 167.3 12.02 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.235 1.814 . . . . 0.0 109.123 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -55.03 -35.87 64.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.236 -0.915 . . . . 0.0 112.178 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 p -141.77 162.33 35.75 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.503 1.521 . . . . 0.0 111.199 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.95 -16.8 62.1 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 121.44 -0.788 . . . . 0.0 112.423 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -79.9 -47.56 14.87 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.849 1.66 . . . . 0.0 111.11 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -75.6 -4.67 41.38 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 tp -57.2 -33.03 67.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.095 1.358 . . . . 0.0 112.404 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.64 -50.61 64.38 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.589 -0.695 . . . . 0.0 109.42 173.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 m -55.3 -35.46 65.12 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.26 1.024 . . . . 0.0 111.479 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -61.35 -60.17 4.15 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.037 1.335 . . . . 0.0 110.576 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -60.01 -36.97 78.36 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -68.17 -19.99 64.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.868 0.758 . . . . 0.0 112.781 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.8 m -88.77 -45.03 10.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.655 0.782 . . . . 0.0 109.737 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.9 m -55.84 -44.68 78.22 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.525 1.53 . . . . 0.0 113.378 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.6 tp -59.46 -19.38 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 123.522 0.729 . . . . 0.0 112.485 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -108.19 6.75 27.02 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.053 2.141 . . . . 0.0 112.736 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.29 23.87 77.27 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.311 1.434 . . . . 0.0 115.706 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -122.97 159.35 28.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.905 1.682 . . . . 0.0 113.268 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.437 ' SG ' ' CE1' ' A' ' 90' ' ' HIS . 43.3 t -94.03 137.94 22.81 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.348 1.459 . . . . 0.0 111.793 175.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -64.98 148.78 89.89 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 121.371 1.381 . . . . 0.0 109.799 173.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 53.76 -42.52 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 129.485 3.114 . . . . 0.0 118.569 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -25.6 56.19 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 121.313 1.87 . . . . 0.0 111.037 175.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . 0.25 61.2 mtt 61.91 13.64 5.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.927 2.491 . . . . 0.0 116.303 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.9 m -58.78 140.94 54.34 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.111 0.964 . . . . 0.0 110.155 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.0 mt -121.83 142.91 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.877 1.271 . . . . 0.0 110.712 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.466 HG22 ' H ' ' A' ' 81' ' ' GLU . 4.5 t -144.09 -89.22 0.12 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.781 1.232 . . . . 0.0 109.479 174.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.466 ' H ' HG22 ' A' ' 80' ' ' THR . 51.6 mm-40 -149.64 158.07 43.83 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.995 2.118 . . . . 0.0 109.171 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.9 1.26 18.1 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.5 p -76.12 145.46 39.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.363 1.065 . . . . 0.0 111.516 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.09 -38.05 81.79 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.105 -0.997 . . . . 0.0 111.597 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 m -58.34 -38.77 77.84 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.226 1.01 . . . . 0.0 112.715 177.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.06 -40.41 27.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.669 0.787 . . . . 0.0 112.148 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.13 -39.53 71.94 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.828 -0.545 . . . . 0.0 112.094 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -59.68 -43.91 93.84 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.973 -1.079 . . . . 0.0 110.737 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.95 81.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.52 0.728 . . . . 0.0 111.667 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.437 ' CE1' ' SG ' ' A' ' 73' ' ' CYS . 6.2 t-80 -64.35 -54.31 35.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.577 0.751 . . . . 0.0 111.287 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -65.99 -20.94 66.36 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -175.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.2 m -62.04 -19.87 63.34 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.699 0.681 . . . . 0.0 112.616 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.6 pt -124.64 3.42 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 125.618 1.567 . . . . 0.0 115.073 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.2 t -121.83 136.05 54.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.865 1.266 . . . . 0.0 114.326 -177.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.52 16.18 2.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.629 1.971 . . . . 0.0 113.616 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.7 mt -94.69 8.7 41.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.119 1.368 . . . . 0.0 111.665 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.2 p -55.74 -17.05 5.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.648 2.379 . . . . 0.0 116.048 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.24 32.79 0.29 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 126.151 1.834 . . . . 0.0 111.617 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.9 ttm105 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 127.018 2.127 . . . . 0.0 111.437 -174.622 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.1 tpt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.309 0.099 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.22 172.28 43.88 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.68 1.133 . . . . 0.0 112.863 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.2 p -61.42 -8.09 3.73 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tpt -126.34 18.23 7.61 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.2 1.8 . . . . 0.0 112.735 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.65 137.8 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.316 1.446 . . . . 0.0 112.476 -174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.0 t -67.91 145.1 54.91 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.18 1.392 . . . . 0.0 113.705 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -72.02 -15.66 62.04 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.784 1.234 . . . . 0.0 114.312 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.9 t -112.57 -63.81 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 125.01 1.324 . . . . 0.0 113.176 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 p -80.52 -8.7 59.67 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.256 0.3 OUTLIER 52.63 27.84 5.57 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.323 1.449 . . . . 0.0 114.541 -177.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -104.41 162.9 12.84 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.278 1.831 . . . . 0.0 110.332 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -78.42 166.67 22.36 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.543 1.137 . . . . 0.0 113.121 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.3 t -134.91 161.78 34.27 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.673 1.989 . . . . 0.0 108.961 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.05 -29.8 70.72 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.7 p -141.05 157.91 44.66 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.714 1.206 . . . . 0.0 111.642 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -14.09 61.83 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -88.14 -42.02 12.62 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.429 1.491 . . . . 0.0 111.438 179.04 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.56 -23.71 62.66 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.65 0.78 . . . . 0.0 111.098 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.9 tp -54.37 -34.82 61.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.855 1.662 . . . . 0.0 112.755 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.2 -32.09 71.14 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.359 1.064 . . . . 0.0 111.808 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.4 m -79.47 -34.95 40.98 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.409 0.684 . . . . 0.0 110.51 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -52.1 -59.64 4.13 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.034 1.734 . . . . 0.0 110.429 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -56.23 -36.91 69.03 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -70.03 -19.88 63.28 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.103 0.961 . . . . 0.0 113.215 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 m -93.88 -40.83 9.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.836 0.854 . . . . 0.0 109.495 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.8 m -56.1 -43.33 77.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.381 1.472 . . . . 0.0 113.16 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.8 tp -59.07 -19.59 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.79 0.836 . . . . 0.0 112.369 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -109.14 5.7 24.18 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 127.224 2.21 . . . . 0.0 112.558 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.75 19.99 79.52 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.378 1.466 . . . . 0.0 115.246 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -116.86 155.01 29.76 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.213 1.405 . . . . 0.0 113.822 -175.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.7 t -83.11 136.54 43.62 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 124.644 1.177 . . . . 0.0 110.201 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -64.88 -13.21 38.24 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.455 2.77 . . . . 0.0 116.532 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -134.54 -43.2 0.76 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.0 p -81.89 -6.19 58.89 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.127 1.785 . . . . 0.0 112.293 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.7 mmt 60.45 8.09 1.54 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.816 2.846 . . . . 0.0 116.117 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.7 m -57.62 142.53 44.5 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.413 1.085 . . . . 0.0 110.285 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.7 mt -120.22 139.93 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.618 1.167 . . . . 0.0 110.755 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 t -149.33 -169.23 3.32 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.965 2.506 . . . . 0.0 109.174 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.39 143.16 57.31 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.138 -1.601 . . . . 0.0 111.155 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.32 41.59 0.39 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.723 1.209 . . . . 0.0 113.164 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.9 p -119.36 149.22 42.19 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.311 1.844 . . . . 0.0 110.421 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.11 -36.03 74.45 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.28 -0.887 . . . . 0.0 112.798 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.6 m -61.82 -41.54 97.9 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.268 1.027 . . . . 0.0 112.729 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.83 -42.02 35.06 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.495 0.718 . . . . 0.0 111.902 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.84 -42.26 90.75 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.427 0.691 . . . . 0.0 111.625 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.76 -40.57 92.99 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.115 -0.991 . . . . 0.0 111.179 175.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.21 81.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.527 0.603 . . . . 0.0 111.528 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -71.23 -53.99 12.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.46 0.704 . . . . 0.0 111.615 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -64.57 -19.83 65.88 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.9 m -64.09 -20.11 65.72 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.379 -0.826 . . . . 0.0 112.136 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.8 pt -122.8 1.6 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.949 1.7 . . . . 0.0 113.99 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.7 t -121.93 127.34 50.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.808 1.643 . . . . 0.0 113.013 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -128.35 6.98 5.84 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.948 1.699 . . . . 0.0 112.975 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.45 -14.9 62.86 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.189 0.996 . . . . 0.0 111.33 172.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.6 p -46.76 -16.44 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 130.03 3.332 . . . . 0.0 116.058 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.85 34.81 0.41 Allowed Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.189 1.852 . . . . 0.0 112.207 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 . . . . . 0 C--O 1.251 1.133 0 C-N-CA 125.726 1.611 . . . . 0.0 112.153 -178.585 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.485 1.325 0 N-CA-C 110.867 -0.049 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.75 166.71 39.69 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.381 0.991 . . . . 0.0 113.147 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.1 p -66.01 -12.56 56.04 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 ttt -119.99 28.2 8.23 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.966 1.706 . . . . 0.0 112.284 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.2 t -126.37 138.2 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.585 1.554 . . . . 0.0 111.222 -176.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.2 t -61.18 152.62 28.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.518 1.527 . . . . 0.0 113.921 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -85.12 -9.46 57.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.995 1.318 . . . . 0.0 113.834 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.6 t -116.95 -61.09 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.134 1.374 . . . . 0.0 113.098 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.1 p -85.23 -7.39 59.05 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.296 1.5 t60 48.03 36.65 6.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.987 1.715 . . . . 0.0 114.975 -177.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -111.69 160.15 17.54 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.719 2.008 . . . . 0.0 110.031 177.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.5 169.68 17.61 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.963 0.905 . . . . 0.0 112.454 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.4 t -133.34 157.67 44.92 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.268 1.827 . . . . 0.0 108.626 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -59.72 -27.74 66.73 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.33 157.27 45.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.727 1.211 . . . . 0.0 111.215 176.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.78 -12.8 60.81 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -89.69 -45.08 9.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.202 1.401 . . . . 0.0 111.192 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.69 -14.53 63.08 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.663 0.785 . . . . 0.0 112.325 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.4 tp -56.14 -32.16 64.0 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.634 1.574 . . . . 0.0 112.368 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -69.54 -40.91 76.58 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.181 -0.949 . . . . 0.0 111.154 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -63.43 -35.47 80.52 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.646 -0.659 . . . . 0.0 110.448 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -58.4 -60.46 3.75 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.365 1.466 . . . . 0.0 110.216 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -58.91 -38.13 78.21 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.86 -24.1 67.44 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.965 0.906 . . . . 0.0 112.947 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 m -92.14 -42.67 9.78 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.365 1.066 . . . . 0.0 110.33 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.0 m -56.0 -46.14 78.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.514 1.526 . . . . 0.0 113.139 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.5 tt -58.36 -19.41 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 123.941 0.896 . . . . 0.0 112.869 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -110.82 6.44 21.37 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.878 2.071 . . . . 0.0 112.958 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.63 40.71 85.69 Favored Glycine 0 N--CA 1.468 0.816 0 C-N-CA 124.781 1.181 . . . . 0.0 114.632 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -136.99 153.02 50.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.043 1.337 . . . . 0.0 112.607 -176.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.89 138.24 37.52 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 124.236 1.014 . . . . 0.0 109.751 173.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -63.96 -15.3 48.34 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.142 2.561 . . . . 0.0 116.278 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -136.48 -42.99 0.61 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 117.155 2.279 . . . . 0.0 117.155 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 p -82.26 -5.92 58.87 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 121.33 1.877 . . . . 0.0 112.431 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.3 mmt 58.14 16.71 4.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.455 2.702 . . . . 0.0 115.625 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.9 m -61.12 145.01 52.48 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.504 -0.747 . . . . 0.0 109.022 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.7 mt -113.4 147.34 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.516 1.126 . . . . 0.0 111.245 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.9 p -136.35 -178.0 4.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.362 2.265 . . . . 0.0 111.936 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.94 2.39 6.98 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.182 1.393 . . . . 0.0 114.157 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 64.09 15.26 9.15 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.106 1.762 . . . . 0.0 114.248 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.7 p -103.08 155.82 18.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.665 1.586 . . . . 0.0 110.326 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.77 -43.63 85.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.358 -0.839 . . . . 0.0 112.032 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.0 m -59.26 -38.03 79.09 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.05 0.94 . . . . 0.0 112.646 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.15 -35.93 35.91 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.488 0.715 . . . . 0.0 112.272 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.6 mt -74.79 -43.06 56.74 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.645 -0.659 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -61.28 -38.02 85.26 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.234 0.925 . . . . 0.0 111.203 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.45 78.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.162 0.585 . . . . 0.0 111.655 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -72.59 -54.46 9.06 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.464 0.706 . . . . 0.0 111.729 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -63.49 -19.64 64.93 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 t -61.72 -24.53 66.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.729 0.812 . . . . 0.0 112.205 172.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.0 pt -118.8 -3.54 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 125.587 1.555 . . . . 0.0 114.564 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.8 t -111.62 135.78 51.74 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.398 1.479 . . . . 0.0 112.778 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -132.95 0.79 3.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.948 1.699 . . . . 0.0 113.592 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.4 mt -69.1 -11.75 61.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.445 1.098 . . . . 0.0 112.96 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.5 p -49.36 -10.96 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 129.34 3.056 . . . . 0.0 117.489 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -157.63 34.22 0.54 Allowed Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.745 1.64 . . . . 0.0 112.255 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.701 1.6 . . . . 0.0 112.221 -178.781 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.57 -178.99 44.88 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.293 0.949 . . . . 0.0 113.209 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.8 p -58.01 -19.5 31.59 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 40.0 tpp -74.76 -9.05 58.18 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.478 1.511 . . . . 0.0 113.883 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.7 t -83.49 131.1 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.091 1.356 . . . . 0.0 112.41 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.4 t -64.83 146.86 54.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.957 1.703 . . . . 0.0 113.518 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.82 -17.92 63.42 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.323 1.449 . . . . 0.0 114.567 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.69 -63.95 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.061 1.344 . . . . 0.0 113.423 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 p -78.33 -3.44 43.03 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 44.91 36.35 1.87 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.407 1.883 . . . . 0.0 113.843 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -117.5 158.42 24.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.831 2.452 . . . . 0.0 109.619 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.88 166.5 23.54 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.308 -0.87 . . . . 0.0 113.137 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.7 t -130.06 167.3 18.52 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.35 1.86 . . . . 0.0 110.102 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -64.14 -37.36 87.16 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.159 -0.963 . . . . 0.0 112.691 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -143.31 158.83 43.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.901 1.28 . . . . 0.0 111.514 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.41 -11.36 60.76 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -94.71 -41.72 9.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.928 1.691 . . . . 0.0 110.725 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.54 -27.19 69.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.296 1.038 . . . . 0.0 110.72 173.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.05 -34.95 61.4 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.911 1.685 . . . . 0.0 113.316 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.99 -35.52 78.47 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.515 -0.741 . . . . 0.0 111.695 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 m -72.58 -34.64 67.57 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.382 173.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -58.94 -60.34 4.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.899 1.68 . . . . 0.0 110.278 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -57.21 -37.92 72.95 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.94 -19.93 65.02 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -93.45 -42.95 8.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.654 0.781 . . . . 0.0 109.909 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.1 m -53.9 -45.56 71.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.925 1.29 . . . . 0.0 112.988 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.2 tp -57.7 -19.54 12.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.961 0.904 . . . . 0.0 112.741 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -111.41 7.12 20.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.223 2.209 . . . . 0.0 113.065 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.92 26.91 73.11 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.454 1.026 . . . . 0.0 114.536 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -116.91 152.21 35.0 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.547 1.939 . . . . 0.0 113.298 -175.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.64 133.63 33.95 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 124.485 1.114 . . . . 0.0 109.178 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -64.19 -11.08 26.01 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.765 2.977 . . . . 0.0 117.093 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -135.02 -45.69 0.72 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 9.9 p -83.4 -4.29 58.35 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 120.659 1.572 . . . . 0.0 112.566 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 87.0 mmm 57.72 17.05 3.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.363 2.665 . . . . 0.0 115.836 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 55.2 m -60.4 142.53 54.85 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.356 -0.84 . . . . 0.0 109.927 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.52 137.5 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.938 1.295 . . . . 0.0 110.604 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.4 t -155.03 -170.94 3.65 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.29 2.236 . . . . 0.0 109.455 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.82 148.85 50.65 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.224 -1.547 . . . . 0.0 110.994 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.4 2.05 10.32 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.6 p -71.82 149.97 44.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.411 1.085 . . . . 0.0 111.295 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -61.59 -33.83 74.56 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.086 -1.009 . . . . 0.0 111.812 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 m -62.73 -42.52 99.7 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.279 1.032 . . . . 0.0 112.663 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.34 58.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.358 0.663 . . . . 0.0 111.695 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.09 -43.98 85.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.622 0.769 . . . . 0.0 111.939 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -61.18 -38.95 88.33 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.449 1.022 . . . . 0.0 111.45 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.96 77.94 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 118.755 0.707 . . . . 0.0 111.464 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.9 -53.88 11.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.533 0.733 . . . . 0.0 111.314 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -63.81 -19.89 65.37 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -65.52 -20.55 66.39 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.443 -0.786 . . . . 0.0 112.378 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.3 pt -121.19 -7.81 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.718 1.607 . . . . 0.0 114.084 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.1 t -105.95 130.53 53.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.26 1.424 . . . . 0.0 112.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.78 11.51 4.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.336 1.854 . . . . 0.0 112.366 176.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.31 -7.3 53.58 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.849 1.26 . . . . 0.0 111.284 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.5 p -54.86 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.16 1 C-N-CA 132.195 4.198 . . . . 0.0 117.914 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.07 17.47 0.1 OUTLIER Glycine 0 CA--C 1.539 1.581 0 C-N-CA 126.875 2.178 . . . . 0.0 113.566 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.501 1.52 . . . . 0.0 112.644 -178.059 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 110.553 -0.165 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.58 159.79 31.5 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 123.833 0.73 . . . . 0.0 113.751 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.8 p -73.78 -6.29 46.07 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 ttt -120.65 27.51 8.5 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.571 1.549 . . . . 0.0 112.772 -177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.2 t -120.51 132.18 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.74 1.616 . . . . 0.0 111.3 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.16 139.82 58.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.564 1.146 . . . . 0.0 112.433 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.81 -10.74 60.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.331 1.452 . . . . 0.0 114.73 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.55 -46.02 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.921 1.288 . . . . 0.0 113.412 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.1 p -104.2 0.37 29.4 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.3 m80 44.18 36.31 1.48 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.475 1.91 . . . . 0.0 114.724 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -117.11 162.12 18.34 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.855 2.062 . . . . 0.0 110.535 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -74.6 169.08 18.52 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.991 0.916 . . . . 0.0 112.888 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.4 t -130.55 159.95 35.61 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.96 2.104 . . . . 0.0 107.97 173.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.6 -31.05 71.81 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.893 -1.129 . . . . 0.0 113.052 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -140.68 158.69 43.61 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.91 1.284 . . . . 0.0 111.271 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.72 -12.44 61.32 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.89 -45.53 9.17 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.614 1.566 . . . . 0.0 111.125 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -68.2 -16.03 63.81 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.318 0.647 . . . . 0.0 112.174 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.55 -33.41 63.83 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.319 1.448 . . . . 0.0 112.034 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.34 -33.0 74.33 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.806 0.842 . . . . 0.0 111.73 176.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.1 m -77.68 -33.39 53.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.146 0.978 . . . . 0.0 110.474 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -57.51 -58.51 7.98 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.554 1.542 . . . . 0.0 109.693 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.5 ptp85 -55.54 -40.36 71.75 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -69.41 -24.37 63.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.959 0.904 . . . . 0.0 113.002 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.9 m -85.38 -46.47 10.92 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.321 0.649 . . . . 0.0 109.513 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m -56.14 -47.02 78.99 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.528 1.531 . . . . 0.0 113.361 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.6 tp -58.26 -19.43 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 123.317 0.647 . . . . 0.0 112.424 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -109.89 6.84 23.63 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.189 2.196 . . . . 0.0 113.194 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.22 30.02 65.66 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.602 1.096 . . . . 0.0 115.277 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -127.14 159.69 33.46 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.003 1.721 . . . . 0.0 112.567 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.1 t -93.57 139.42 22.83 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.374 1.47 . . . . 0.0 110.5 173.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -64.96 -12.74 35.99 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.257 2.638 . . . . 0.0 115.937 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -131.11 -51.95 1.03 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.5 p -79.82 -12.21 59.78 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.569 1.531 . . . . 0.0 112.251 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.6 mtt 56.26 18.56 3.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.098 2.559 . . . . 0.0 115.472 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 51.9 m -59.78 134.82 57.38 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.561 -0.712 . . . . 0.0 109.448 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.0 mm -98.63 139.37 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.245 1.018 . . . . 0.0 110.981 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.5 t -153.69 -177.83 6.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 127.298 2.239 . . . . 0.0 109.189 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -67.27 146.31 54.28 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.069 -1.645 . . . . 0.0 110.393 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.56 3.75 3.67 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.9 p -75.93 149.36 37.72 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.66 1.184 . . . . 0.0 111.537 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.11 -43.87 87.38 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.286 -0.884 . . . . 0.0 112.412 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.6 m -60.14 -39.13 85.25 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.914 0.886 . . . . 0.0 112.703 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.52 -37.01 57.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.27 0.628 . . . . 0.0 111.849 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 44.6 mt -70.51 -40.89 73.26 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.692 -0.63 . . . . 0.0 111.408 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.68 -37.79 85.41 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.301 -0.874 . . . . 0.0 111.148 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.19 -35.33 76.87 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.7 0.682 . . . . 0.0 111.66 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -72.56 -54.59 8.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.533 0.733 . . . . 0.0 111.325 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -63.71 -19.93 65.33 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.8 m -63.26 -20.11 65.16 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.446 -0.784 . . . . 0.0 112.458 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 pt -121.34 -6.33 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.637 1.575 . . . . 0.0 114.069 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 23.5 t -109.48 128.54 55.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.143 1.377 . . . . 0.0 113.423 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -131.98 11.9 4.71 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.107 1.763 . . . . 0.0 112.526 174.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.77 -11.44 60.95 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.742 1.217 . . . . 0.0 111.551 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 53.4 p -52.7 17.09 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 1 C-N-CA 132.779 4.432 . . . . 0.0 118.274 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.19 26.71 0.07 OUTLIER Glycine 0 CA--C 1.534 1.269 0 C-N-CA 127.229 2.347 . . . . 0.0 112.557 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.185 1.394 . . . . 0.0 112.76 -175.07 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.41 -37.84 0.55 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.661 1.124 . . . . 0.0 113.934 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -150.24 -31.43 0.2 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.837 1.255 . . . . 0.0 114.141 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.2 ttp -78.55 44.0 0.5 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.645 1.978 . . . . 0.0 112.233 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -114.88 136.15 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.93 2.092 . . . . 0.0 111.281 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.3 142.93 54.0 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.273 1.429 . . . . 0.0 113.71 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -72.17 -11.89 60.94 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.801 1.24 . . . . 0.0 114.127 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.4 t -114.97 -63.23 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 125.194 1.398 . . . . 0.0 113.122 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.0 p -81.57 -3.56 53.61 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 46.0 35.51 2.49 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.152 1.781 . . . . 0.0 113.918 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -111.66 150.13 30.58 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.771 2.028 . . . . 0.0 109.757 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -75.22 139.2 42.44 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.325 -0.859 . . . . 0.0 111.302 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.3 t -92.38 173.64 7.7 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.177 0.991 . . . . 0.0 111.056 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.76 -36.39 78.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.654 -1.279 . . . . 0.0 112.061 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -145.54 165.88 27.35 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.444 1.498 . . . . 0.0 112.009 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.41 -15.94 61.34 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -89.49 -43.99 10.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.234 1.414 . . . . 0.0 110.726 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.57 -23.55 66.87 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.393 1.077 . . . . 0.0 111.424 176.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.7 tp -53.09 -35.0 59.11 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.396 1.879 . . . . 0.0 112.889 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.09 -46.55 77.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.153 0.981 . . . . 0.0 110.969 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -64.77 -36.84 85.61 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.474 -0.766 . . . . 0.0 110.894 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -58.54 -60.4 3.87 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.438 1.495 . . . . 0.0 110.359 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -58.57 -39.2 79.64 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -69.43 -19.73 63.78 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.5 m -91.7 -43.09 9.79 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.491 -0.756 . . . . 0.0 110.044 174.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 67.3 m -54.83 -45.7 74.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.162 1.385 . . . . 0.0 113.134 176.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.6 tp -57.63 -19.49 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 123.891 0.877 . . . . 0.0 112.579 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -111.6 7.43 20.53 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.254 2.222 . . . . 0.0 113.145 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.82 27.71 71.9 Favored Glycine 0 CA--C 1.539 1.546 0 O-C-N 120.985 -1.072 . . . . 0.0 114.829 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -118.1 152.55 35.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.332 1.853 . . . . 0.0 113.106 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.6 t -89.74 133.22 34.6 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 124.427 1.091 . . . . 0.0 109.26 170.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -64.62 -18.79 63.88 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.352 2.701 . . . . 0.0 116.894 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -134.5 -12.68 2.35 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 117.662 2.468 . . . . 0.0 117.662 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.85 -2.68 14.3 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 120.565 1.53 . . . . 0.0 111.934 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 55.83 18.19 2.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.995 2.518 . . . . 0.0 115.677 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.5 m -61.32 138.98 58.25 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.34 -0.85 . . . . 0.0 109.271 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.61 134.86 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.686 1.195 . . . . 0.0 110.408 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.3 t -154.53 -169.04 3.1 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.369 2.268 . . . . 0.0 109.382 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -69.76 152.64 44.38 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.012 -1.68 . . . . 0.0 111.746 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.7 1.45 17.08 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.098 0.959 . . . . 0.0 113.505 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.9 p -72.4 147.92 45.73 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.61 1.164 . . . . 0.0 111.335 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -62.19 -29.95 70.73 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.179 -0.95 . . . . 0.0 112.267 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.1 m -66.26 -42.36 88.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.075 0.95 . . . . 0.0 112.123 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.79 -42.32 58.34 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.512 0.725 . . . . 0.0 111.626 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.02 -46.12 79.03 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.625 0.77 . . . . 0.0 112.185 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -61.67 -37.75 85.22 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.577 1.081 . . . . 0.0 111.733 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.66 80.95 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.644 0.656 . . . . 0.0 111.319 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -70.23 -53.04 18.71 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.391 0.677 . . . . 0.0 111.166 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -64.07 -20.07 65.68 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -64.94 -20.23 66.36 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.485 -0.759 . . . . 0.0 112.307 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.7 pt -122.52 -3.98 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.824 1.65 . . . . 0.0 114.082 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.2 t -112.39 130.67 55.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.556 1.542 . . . . 0.0 112.795 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -131.24 8.0 4.65 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.15 1.78 . . . . 0.0 112.756 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.89 -15.18 63.5 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.677 0.791 . . . . 0.0 110.885 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.2 p -49.2 -2.51 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 131.009 3.724 . . . . 0.0 117.756 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -151.17 21.77 0.97 Allowed Glycine 0 CA--C 1.538 1.503 0 C-N-CA 126.03 1.776 . . . . 0.0 113.622 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 125.128 1.371 . . . . 0.0 114.536 -179.49 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.487 1.401 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.82 172.38 42.57 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.656 1.122 . . . . 0.0 112.793 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.2 p -57.91 -24.37 57.45 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 ttt -72.89 -6.75 47.19 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.985 1.314 . . . . 0.0 114.279 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.6 t -86.53 128.54 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.747 1.219 . . . . 0.0 110.498 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.1 t -57.85 139.74 53.45 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.141 1.377 . . . . 0.0 112.818 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -66.39 -11.51 51.91 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.6 t -118.52 -69.44 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 125.098 1.359 . . . . 0.0 112.532 -177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.7 p -72.58 -3.19 23.21 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.4 m80 45.25 38.97 3.79 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.435 1.894 . . . . 0.0 113.848 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -117.75 150.14 39.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.43 2.292 . . . . 0.0 109.534 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -76.59 133.15 39.75 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.354 -0.841 . . . . 0.0 110.229 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.3 p -74.49 173.95 9.64 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.84 0.856 . . . . 0.0 112.207 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -71.02 -41.85 70.32 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.887 -1.133 . . . . 0.0 110.404 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -144.3 152.22 40.48 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.774 1.63 . . . . 0.0 110.966 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.15 -12.4 19.57 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -82.33 -44.06 16.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.739 1.616 . . . . 0.0 111.072 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -73.46 -16.8 61.3 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.4 tp -48.1 -41.21 25.73 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.534 1.934 . . . . 0.0 114.514 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -70.36 -41.0 73.7 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.346 -0.846 . . . . 0.0 111.778 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 t -62.57 -37.59 86.8 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.71 -0.619 . . . . 0.0 110.454 174.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -57.72 -60.77 3.18 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.494 1.518 . . . . 0.0 110.301 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -59.82 -38.88 83.26 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -65.89 -19.84 66.02 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 m -95.04 -43.32 8.19 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.08 0.952 . . . . 0.0 109.926 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.8 m -55.27 -44.08 75.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.567 1.547 . . . . 0.0 112.941 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.6 -19.51 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 124.046 0.938 . . . . 0.0 112.666 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -110.72 7.85 22.33 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.05 2.14 . . . . 0.0 112.528 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.57 22.13 77.83 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.197 1.38 . . . . 0.0 115.213 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -118.46 154.4 32.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.804 1.241 . . . . 0.0 113.847 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.1 t -80.57 137.94 51.29 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.871 1.268 . . . . 0.0 110.518 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.53 -14.39 44.59 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.218 2.612 . . . . 0.0 116.273 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -134.25 -46.35 0.77 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 p -81.08 -5.13 57.28 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.099 1.772 . . . . 0.0 112.116 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.1 mmt 60.22 11.4 2.78 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.698 2.799 . . . . 0.0 115.482 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.3 m -54.45 139.44 37.41 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.933 1.293 . . . . 0.0 110.422 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.8 mt -118.19 138.65 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.431 1.092 . . . . 0.0 110.701 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 t -151.42 -170.61 3.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.993 2.517 . . . . 0.0 108.805 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.41 149.1 50.71 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 119.98 -1.7 . . . . 0.0 110.947 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.95 4.41 5.42 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.2 p -72.99 150.32 42.55 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.694 1.198 . . . . 0.0 111.22 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.05 -35.83 77.98 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.176 -0.952 . . . . 0.0 112.272 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -62.76 -42.18 99.56 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.365 1.066 . . . . 0.0 112.89 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.53 -42.41 67.95 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.307 0.643 . . . . 0.0 111.25 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.59 -37.25 79.67 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.419 0.688 . . . . 0.0 111.926 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -62.84 -41.01 99.18 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.652 -1.28 . . . . 0.0 110.364 174.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.01 89.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.41 0.55 . . . . 0.0 110.995 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -63.86 -57.37 10.06 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.894 0.878 . . . . 0.0 111.231 174.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -65.8 -19.77 66.01 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -64.86 -19.81 66.08 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.537 -0.727 . . . . 0.0 112.367 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.9 pt -123.1 -1.55 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.679 1.592 . . . . 0.0 114.208 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.7 t -118.06 131.36 56.46 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.687 1.595 . . . . 0.0 112.859 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -130.91 1.26 4.31 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.852 1.661 . . . . 0.0 113.72 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.7 mt -65.31 -14.76 61.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.972 0.909 . . . . 0.0 111.88 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.3 p -49.41 -14.52 0.1 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.495 3.118 . . . . 0.0 116.212 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.47 31.54 0.34 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.159 1.837 . . . . 0.0 112.246 176.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.635 1.574 . . . . 0.0 112.431 -176.773 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.9 ttp . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.03 163.45 29.64 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.001 0.81 . . . . 0.0 113.509 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.1 p -69.98 -11.17 60.68 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.7 ttt -119.36 23.33 11.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.189 1.795 . . . . 0.0 112.152 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.6 t -120.15 132.95 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.735 1.614 . . . . 0.0 111.486 -175.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.1 t -63.54 142.37 58.42 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.495 1.118 . . . . 0.0 113.213 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -73.12 -12.13 60.79 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.0 t -117.66 -48.82 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.719 1.208 . . . . 0.0 113.951 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.0 p -104.04 0.72 30.17 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 47.82 27.88 1.22 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.568 1.947 . . . . 0.0 114.47 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -83.36 143.33 30.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.69 1.196 . . . . 0.0 111.081 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -86.46 85.86 7.32 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.488 1.515 . . . . 0.0 109.851 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.4 t -51.75 152.43 2.9 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.372 1.069 . . . . 0.0 113.241 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -53.41 -31.38 44.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.862 1.265 . . . . 0.0 114.014 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.32 157.25 45.46 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.011 1.324 . . . . 0.0 110.574 175.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.29 -11.78 61.1 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -99.29 -40.78 7.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.024 1.33 . . . . 0.0 112.03 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.32 -23.05 67.24 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.899 0.772 . . . . 0.0 110.988 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.0 tp -53.79 -33.28 55.51 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.436 1.895 . . . . 0.0 112.308 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -67.86 -32.24 72.63 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.272 1.029 . . . . 0.0 111.815 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 m -80.31 -36.56 34.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.128 0.971 . . . . 0.0 110.46 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -55.02 -60.26 3.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.234 1.813 . . . . 0.0 110.583 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -54.45 -39.44 67.44 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -70.55 -19.92 62.84 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.169 0.987 . . . . 0.0 113.08 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -92.27 -42.46 9.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.215 1.006 . . . . 0.0 109.996 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.0 m -56.76 -42.96 80.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.585 1.554 . . . . 0.0 113.669 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.5 tt -60.2 -19.37 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.417 0.687 . . . . 0.0 112.409 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -107.45 6.89 28.62 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.065 2.146 . . . . 0.0 112.234 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.37 21.6 76.02 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.655 1.598 . . . . 0.0 115.17 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -119.92 158.51 26.54 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.235 1.414 . . . . 0.0 113.809 -174.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.5 t -85.89 139.02 34.95 Favored Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 125.067 1.347 . . . . 0.0 111.179 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -64.85 -14.34 44.44 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.442 2.761 . . . . 0.0 116.136 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -134.13 -47.53 0.78 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -78.05 -13.24 59.94 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.892 1.678 . . . . 0.0 111.903 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.2 mtt 58.12 15.55 3.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.234 2.614 . . . . 0.0 116.163 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 49.0 m -59.9 145.36 46.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.808 0.843 . . . . 0.0 109.116 172.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.1 mt -119.36 141.7 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.192 0.997 . . . . 0.0 111.44 -177.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.5 t -150.52 -170.72 3.73 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 128.297 2.639 . . . . 0.0 109.011 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.04 146.58 54.18 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 119.957 -1.714 . . . . 0.0 111.275 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.19 43.53 0.37 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.853 1.261 . . . . 0.0 113.194 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.4 p -128.15 154.44 45.76 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.006 1.722 . . . . 0.0 112.142 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -57.28 -44.94 84.45 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.1 m -58.01 -38.42 76.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.918 0.887 . . . . 0.0 112.394 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.81 -41.75 22.81 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.276 1.031 . . . . 0.0 113.118 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.4 mt -76.61 -43.05 40.13 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -61.55 -34.81 76.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.336 0.971 . . . . 0.0 111.293 177.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.03 85.16 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.388 0.675 . . . . 0.0 111.698 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.38 -52.73 20.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.508 0.723 . . . . 0.0 110.809 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -64.03 -19.64 65.35 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.0 m -64.42 -20.06 65.92 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.355 -0.841 . . . . 0.0 112.326 173.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.9 pt -122.09 -5.09 8.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 125.739 1.616 . . . . 0.0 114.141 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 14.2 t -111.76 128.76 56.19 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.205 1.402 . . . . 0.0 112.819 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -129.96 7.66 5.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.982 1.713 . . . . 0.0 112.794 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.04 -20.6 64.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.44 0.696 . . . . 0.0 110.241 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.6 p -50.01 -18.29 0.52 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 129.367 3.067 . . . . 0.0 115.157 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.92 23.19 1.78 Allowed Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.767 1.651 . . . . 0.0 113.782 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.377 1.871 . . . . 0.0 112.694 179.037 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 110.726 -0.101 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.81 -28.26 0.31 Allowed Glycine 0 CA--C 1.537 1.468 0 N-CA-C 116.025 1.17 . . . . 0.0 116.025 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.2 p -132.97 -5.48 3.11 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.9 ttt -124.84 33.98 5.09 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.786 1.634 . . . . 0.0 112.439 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.8 t -124.12 128.79 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.006 1.722 . . . . 0.0 110.915 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -61.58 147.45 45.56 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.917 1.287 . . . . 0.0 113.222 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.54 -13.21 61.72 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.018 1.327 . . . . 0.0 114.244 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.78 -70.27 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.344 1.458 . . . . 0.0 112.651 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 p -75.25 -1.95 25.8 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.5 m80 42.98 38.79 1.53 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.59 1.956 . . . . 0.0 113.816 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -119.23 166.09 13.42 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.711 2.404 . . . . 0.0 110.131 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.42 171.35 15.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.444 1.098 . . . . 0.0 112.54 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.5 t -133.3 167.49 20.3 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.113 2.165 . . . . 0.0 108.529 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -57.2 -34.41 68.49 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.869 -1.144 . . . . 0.0 112.257 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -141.3 159.42 42.25 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.314 1.445 . . . . 0.0 111.12 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.85 -11.58 60.87 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 121.488 -0.757 . . . . 0.0 112.936 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -88.01 -46.18 9.56 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.066 1.346 . . . . 0.0 111.003 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -67.29 -16.77 64.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.324 0.65 . . . . 0.0 112.071 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.23 -31.28 63.38 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.748 1.619 . . . . 0.0 112.47 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -66.32 -35.02 79.31 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.308 -0.87 . . . . 0.0 111.594 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 m -76.84 -30.39 56.31 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.145 0.978 . . . . 0.0 110.918 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -59.92 -59.88 4.72 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.802 1.641 . . . . 0.0 110.749 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 45.6 ptt85 -54.09 -42.53 69.48 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -70.54 -19.59 62.88 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 m -86.51 -44.23 12.12 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.791 0.836 . . . . 0.0 108.988 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 77.8 m -55.34 -46.28 76.4 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.926 1.69 . . . . 0.0 113.568 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.8 tp -59.13 -19.56 16.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.123 0.569 . . . . 0.0 112.482 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -107.38 6.41 28.3 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.03 2.132 . . . . 0.0 112.75 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.85 17.24 78.27 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.522 1.534 . . . . 0.0 115.725 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -116.05 153.39 31.77 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.851 1.326 . . . . 0.0 113.201 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.24 139.04 41.92 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.045 0.938 . . . . 0.0 110.384 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -62.82 -16.66 55.02 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.389 2.726 . . . . 0.0 116.252 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -135.58 -37.33 0.76 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -176.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.6 p -85.26 -6.13 59.28 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 121.821 2.1 . . . . 0.0 112.229 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.5 mmt 60.55 4.23 0.7 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 129.048 2.939 . . . . 0.0 116.708 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.7 m -57.66 144.59 37.16 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.298 1.039 . . . . 0.0 110.231 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.2 mt -120.12 136.67 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.634 1.174 . . . . 0.0 110.722 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.5 p -143.1 -173.54 3.94 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.621 2.768 . . . . 0.0 108.781 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.25 147.6 53.09 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 119.919 -1.738 . . . . 0.0 110.438 176.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.41 4.55 3.67 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.042 1.126 . . . . 0.0 114.042 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.5 p -75.41 150.32 38.36 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.918 1.287 . . . . 0.0 111.952 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.07 -41.87 89.01 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.379 -0.825 . . . . 0.0 112.08 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -59.19 -38.14 79.11 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.229 1.012 . . . . 0.0 112.838 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.48 -39.81 31.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.252 0.621 . . . . 0.0 111.685 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 75.0 mt -69.9 -42.96 72.67 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -61.46 -37.91 85.29 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.166 -0.959 . . . . 0.0 111.469 176.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.77 81.35 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.551 0.614 . . . . 0.0 111.461 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -70.86 -54.8 10.17 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.669 0.787 . . . . 0.0 111.33 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -64.24 -19.65 65.52 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.4 m -64.26 -25.48 68.07 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.268 -0.895 . . . . 0.0 111.852 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.7 pt -114.71 -13.31 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.405 1.482 . . . . 0.0 113.652 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 16.3 t -102.66 126.17 49.65 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.97 1.308 . . . . 0.0 112.038 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -131.14 11.36 5.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.316 1.846 . . . . 0.0 111.744 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.9 mt -76.25 -4.65 43.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.552 1.541 . . . . 0.0 112.069 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.8 p -54.03 10.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 131.17 3.788 . . . . 0.0 117.841 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.92 17.75 0.19 Allowed Glycine 0 CA--C 1.541 1.691 0 C-N-CA 126.511 2.005 . . . . 0.0 113.67 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.839 1.656 . . . . 0.0 115.382 -178.268 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 111.242 0.09 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.88 176.92 44.88 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.524 1.059 . . . . 0.0 113.291 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.5 p -58.16 -14.84 7.75 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 30.9 ttm -124.0 18.19 9.27 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.757 1.623 . . . . 0.0 112.883 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.9 t -107.57 131.34 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.241 1.416 . . . . 0.0 110.866 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.6 t -62.78 144.36 56.58 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.868 1.267 . . . . 0.0 114.005 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.11 -19.72 65.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.474 1.91 . . . . 0.0 114.02 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -115.13 -72.55 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 125.317 1.447 . . . . 0.0 112.373 -175.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -68.23 -6.88 26.04 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.1 m80 47.66 32.8 2.69 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.367 1.867 . . . . 0.0 113.812 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -108.26 151.69 25.61 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.759 2.023 . . . . 0.0 109.771 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -75.64 138.3 41.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.469 0.708 . . . . 0.0 111.617 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.6 t -92.21 169.19 10.8 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.671 1.188 . . . . 0.0 111.378 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.35 -41.79 97.62 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.866 -1.147 . . . . 0.0 111.26 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -144.5 168.21 20.68 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.01 1.724 . . . . 0.0 111.833 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.17 -13.35 61.15 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.448 -0.782 . . . . 0.0 112.954 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -89.7 -44.87 9.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.144 1.377 . . . . 0.0 111.003 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.32 -23.06 67.16 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.11 0.964 . . . . 0.0 111.572 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.6 tp -53.51 -34.81 59.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.186 1.794 . . . . 0.0 112.832 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -66.37 -31.62 72.51 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.744 0.818 . . . . 0.0 112.029 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -80.12 -38.17 32.09 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.913 0.885 . . . . 0.0 110.448 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -56.44 -58.28 8.68 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.559 1.543 . . . . 0.0 110.871 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.75 -40.24 69.13 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -72.73 -24.95 61.04 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.141 0.976 . . . . 0.0 113.178 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 m -85.16 -43.59 13.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.59 0.756 . . . . 0.0 110.497 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.0 -44.23 87.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.401 1.481 . . . . 0.0 114.03 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -21.48 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 121.478 -0.764 . . . . 0.0 112.504 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -103.67 6.57 37.11 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.828 2.051 . . . . 0.0 113.055 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.72 21.46 77.92 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.256 1.408 . . . . 0.0 115.612 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -118.58 154.31 32.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.825 1.313 . . . . 0.0 113.943 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 39.0 t -80.0 136.71 53.93 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.95 1.3 . . . . 0.0 110.543 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.21 -13.08 38.3 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.111 2.541 . . . . 0.0 116.343 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -135.21 -45.09 0.7 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.5 p -81.37 -5.98 58.43 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 121.186 1.812 . . . . 0.0 112.011 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.5 mmt 61.12 10.57 2.98 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.79 2.836 . . . . 0.0 115.605 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.8 m -55.91 141.55 38.88 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.809 1.244 . . . . 0.0 110.507 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.0 mt -120.29 140.24 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.575 1.15 . . . . 0.0 110.878 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.0 t -150.82 -169.71 3.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.857 2.463 . . . . 0.0 108.91 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.13 149.49 50.46 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.057 -1.652 . . . . 0.0 110.976 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.95 3.24 7.06 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.3 p -71.26 150.73 44.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.14 0.976 . . . . 0.0 110.901 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.36 -34.34 76.49 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.151 -0.968 . . . . 0.0 112.173 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.4 m -64.9 -42.78 94.48 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.096 0.958 . . . . 0.0 112.786 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.96 72.74 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.099 0.56 . . . . 0.0 111.294 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.6 mt -67.48 -38.45 84.41 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.331 0.652 . . . . 0.0 111.447 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -63.01 -39.36 94.54 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.704 -1.248 . . . . 0.0 110.595 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.59 93.06 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.776 0.717 . . . . 0.0 110.866 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -62.09 -56.69 16.37 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.852 0.861 . . . . 0.0 110.989 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -66.07 -19.74 65.94 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.893 -1.129 . . . . 0.0 113.968 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.3 m -65.77 -19.98 66.09 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.375 -0.828 . . . . 0.0 112.208 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.4 pt -121.51 -0.91 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.871 1.668 . . . . 0.0 114.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.1 t -119.81 129.38 54.41 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.865 1.666 . . . . 0.0 112.724 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.52 9.09 4.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.064 1.746 . . . . 0.0 112.794 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.11 -5.97 53.24 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.278 1.431 . . . . 0.0 112.349 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.0 p -53.55 1.6 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 130.49 3.516 . . . . 0.0 117.598 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.21 29.82 0.23 Allowed Glycine 0 CA--C 1.537 1.411 0 C-N-CA 126.928 2.204 . . . . 0.0 112.091 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.325 1.85 . . . . 0.0 114.8 -178.684 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 110.669 -0.122 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.87 -15.34 63.24 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.836 1.208 . . . . 0.0 115.603 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 p -81.32 -30.54 33.85 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.522 1.529 . . . . 0.0 114.304 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.47 2.92 3.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.06 1.744 . . . . 0.0 112.071 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.29 139.08 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.688 1.995 . . . . 0.0 109.47 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.3 t -60.14 144.65 49.32 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.551 1.14 . . . . 0.0 113.533 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -75.38 -13.47 60.4 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.723 1.209 . . . . 0.0 113.928 177.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.9 t -114.24 -61.21 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.221 1.408 . . . . 0.0 113.237 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 p -86.03 -0.95 56.82 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 44.71 38.31 2.72 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.49 1.916 . . . . 0.0 113.544 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -114.21 158.74 20.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.861 2.064 . . . . 0.0 110.987 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -75.49 160.07 30.6 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.83 1.252 . . . . 0.0 112.155 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.9 t -132.97 164.59 26.63 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.502 1.921 . . . . 0.0 109.481 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.24 -36.17 79.24 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.756 -1.215 . . . . 0.0 113.501 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -141.46 161.46 37.85 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.384 1.074 . . . . 0.0 112.163 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.23 -16.63 63.07 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.633 0.773 . . . . 0.0 113.031 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -85.84 -46.41 10.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.728 1.211 . . . . 0.0 111.081 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -66.12 -19.0 65.71 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.242 0.617 . . . . 0.0 112.287 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 tp -56.98 -29.71 63.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.069 1.748 . . . . 0.0 112.928 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -71.18 -44.25 65.83 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.714 0.805 . . . . 0.0 110.32 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.7 m -63.47 -35.65 81.16 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.573 -0.704 . . . . 0.0 110.741 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -59.13 -60.68 3.47 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.362 1.465 . . . . 0.0 110.268 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -59.51 -37.69 78.97 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -65.42 -19.61 66.01 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.76 0.824 . . . . 0.0 113.068 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 m -96.23 -42.43 8.19 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.349 1.06 . . . . 0.0 110.088 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.7 m -55.95 -41.48 74.73 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.704 1.602 . . . . 0.0 113.38 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.8 tp -58.43 -19.51 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.839 0.856 . . . . 0.0 112.5 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -111.13 8.4 21.71 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.044 2.138 . . . . 0.0 112.507 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.19 25.74 75.19 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.22 1.391 . . . . 0.0 114.81 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -121.62 152.71 39.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.209 1.404 . . . . 0.0 113.601 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -84.13 137.61 40.01 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 124.169 0.988 . . . . 0.0 110.333 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -61.66 -18.22 58.97 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.471 2.781 . . . . 0.0 116.527 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -136.19 -38.35 0.69 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 118.016 2.598 . . . . 0.0 118.016 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.2 p -81.88 -6.25 58.94 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 121.497 1.953 . . . . 0.0 112.262 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.4 mmt 57.68 18.35 4.69 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.386 2.674 . . . . 0.0 115.561 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.8 m -63.88 143.68 57.67 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 173.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.6 mt -124.89 138.47 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.658 1.183 . . . . 0.0 110.41 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.9 t -152.49 -167.51 2.77 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.95 2.5 . . . . 0.0 109.119 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.13 150.3 48.53 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.057 -1.652 . . . . 0.0 111.246 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.81 3.09 8.66 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.4 p -72.42 151.37 42.64 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.622 1.169 . . . . 0.0 111.627 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -62.25 -36.21 81.34 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.145 -0.972 . . . . 0.0 112.0 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.9 m -62.87 -41.22 99.3 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.213 1.005 . . . . 0.0 112.844 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.1 -42.53 59.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.272 0.629 . . . . 0.0 111.687 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.37 -43.01 78.31 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.533 0.733 . . . . 0.0 112.611 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.43 -39.03 86.0 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.533 1.06 . . . . 0.0 111.382 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.13 79.48 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.44 0.564 . . . . 0.0 111.695 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -71.82 -53.64 12.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.538 0.735 . . . . 0.0 111.49 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -63.56 -19.8 65.11 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m -64.18 -19.94 65.67 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.623 -0.673 . . . . 0.0 112.497 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 pt -123.07 -1.22 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.644 1.577 . . . . 0.0 114.53 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 14.5 t -113.03 135.44 53.78 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.52 1.528 . . . . 0.0 112.46 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 6.11 4.0 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.918 1.687 . . . . 0.0 113.543 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.28 -9.47 58.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.758 0.823 . . . . 0.0 112.002 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 41.7 p -49.6 -18.15 0.4 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 128.864 2.866 . . . . 0.0 116.767 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.15 26.61 2.31 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.404 1.478 . . . . 0.0 113.308 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.998 1.719 . . . . 0.0 115.183 -179.082 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.1 tpp . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.21 -36.1 0.52 Allowed Glycine 0 N--CA 1.477 1.369 0 N-CA-C 115.401 0.92 . . . . 0.0 115.401 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.5 p -56.33 -27.76 56.78 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 ttt -127.34 31.03 5.28 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.284 1.834 . . . . 0.0 111.371 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.4 t -121.09 140.06 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.909 1.284 . . . . 0.0 112.591 -174.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.74 161.18 28.91 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.29 1.836 . . . . 0.0 113.362 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -85.06 -14.67 46.52 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.3 t -122.83 -62.08 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.268 1.027 . . . . 0.0 113.381 -174.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p -85.78 -0.46 55.31 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 44.7 30.09 0.49 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.346 2.258 . . . . 0.0 114.162 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -77.61 159.89 28.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.985 1.714 . . . . 0.0 111.323 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -108.89 90.39 3.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.712 1.605 . . . . 0.0 108.541 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.0 t -55.72 158.7 3.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.498 1.119 . . . . 0.0 112.817 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -54.41 -31.78 55.85 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.708 1.203 . . . . 0.0 113.747 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -141.36 158.08 44.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.401 1.48 . . . . 0.0 110.601 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.95 -10.77 60.16 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -90.79 -46.85 7.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.114 1.766 . . . . 0.0 110.931 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -27.37 69.0 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.731 1.213 . . . . 0.0 110.972 176.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.62 -33.45 64.01 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.018 1.727 . . . . 0.0 112.719 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.53 -33.29 75.34 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.503 -0.748 . . . . 0.0 111.514 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.4 m -78.63 -36.56 43.85 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.515 0.726 . . . . 0.0 110.169 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -54.58 -60.05 3.88 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.769 1.628 . . . . 0.0 110.663 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -58.0 -29.89 65.63 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -80.07 -23.12 41.56 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.068 0.947 . . . . 0.0 112.862 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 m -87.74 -39.2 15.14 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.11 0.964 . . . . 0.0 111.132 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.5 m -56.29 -44.95 80.32 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.34 1.456 . . . . 0.0 113.94 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -22.52 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.792 0.837 . . . . 0.0 112.021 177.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -101.38 6.4 42.6 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.488 1.915 . . . . 0.0 112.659 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.04 26.46 72.37 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.426 1.489 . . . . 0.0 114.587 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -122.51 154.7 37.51 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.287 1.435 . . . . 0.0 113.492 -174.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.0 t -83.38 137.5 42.18 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.632 1.173 . . . . 0.0 110.398 173.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.93 -14.7 44.68 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.197 2.598 . . . . 0.0 116.173 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -133.4 -45.34 0.83 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -177.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 p -82.33 -9.52 59.44 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 121.247 1.839 . . . . 0.0 111.941 176.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 56.0 mtt 57.54 23.46 9.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.717 2.407 . . . . 0.0 114.986 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.3 m -60.67 143.29 54.48 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.3 mt -121.89 138.23 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.283 1.033 . . . . 0.0 110.536 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.5 t -153.17 -170.46 3.62 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.449 2.3 . . . . 0.0 109.562 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.5 142.46 58.13 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.206 -1.559 . . . . 0.0 111.103 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.59 46.17 0.53 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.703 1.201 . . . . 0.0 112.775 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 39.6 p -125.1 152.09 44.85 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.01 1.724 . . . . 0.0 111.736 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -57.22 -42.54 81.55 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.55 0.74 . . . . 0.0 112.583 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 m -58.5 -40.1 81.88 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.819 0.848 . . . . 0.0 112.751 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.31 -38.7 30.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.963 0.905 . . . . 0.0 112.938 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.1 mt -76.65 -39.46 52.2 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.512 -0.742 . . . . 0.0 112.489 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -62.28 -36.94 83.65 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.888 1.222 . . . . 0.0 110.366 174.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.88 99.26 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.336 0.517 . . . . 0.0 110.894 174.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -60.42 -56.52 20.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.792 0.837 . . . . 0.0 110.894 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -66.46 -19.77 65.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -64.95 -20.34 66.42 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.357 -0.84 . . . . 0.0 112.286 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.4 pt -121.89 -1.64 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.823 1.649 . . . . 0.0 113.93 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.7 t -119.35 122.04 40.92 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.643 1.577 . . . . 0.0 113.097 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -126.33 5.52 7.0 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.246 1.818 . . . . 0.0 112.385 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 99.3 mt -66.56 -13.57 61.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.462 1.105 . . . . 0.0 111.215 172.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.2 p -55.24 -11.9 0.86 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 128.943 2.897 . . . . 0.0 114.801 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.99 26.62 2.34 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 126.087 1.803 . . . . 0.0 113.253 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.192 1.397 . . . . 0.0 114.509 -179.756 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.223 0.059 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.21 -32.11 0.4 Allowed Glycine 0 CA--C 1.536 1.393 0 N-CA-C 115.385 0.914 . . . . 0.0 115.385 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.9 p -130.72 -4.09 4.13 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.6 ttp -125.54 43.58 3.02 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.287 1.835 . . . . 0.0 110.606 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.3 t -110.71 134.66 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 127.148 2.179 . . . . 0.0 110.919 -175.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.38 141.56 56.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.996 1.319 . . . . 0.0 113.339 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -69.83 -12.29 61.51 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.77 -73.17 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.203 1.401 . . . . 0.0 111.846 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 p -70.49 -5.19 26.95 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.2 m80 47.61 36.95 5.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.982 1.713 . . . . 0.0 113.997 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -113.83 150.72 33.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.964 2.105 . . . . 0.0 110.207 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.33 140.44 54.31 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.745 0.818 . . . . 0.0 111.197 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.484 ' HG ' ' CD2' ' A' ' 64' ' ' HIS . 7.9 t -96.59 171.89 8.26 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.836 0.855 . . . . 0.0 111.843 177.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -71.72 -38.79 70.46 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.796 -1.19 . . . . 0.0 112.332 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -145.51 164.63 31.02 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.135 1.374 . . . . 0.0 111.755 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.3 -14.05 62.42 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.36 -45.18 9.18 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.425 1.49 . . . . 0.0 110.848 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -67.33 -20.55 65.61 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.119 0.568 . . . . 0.0 112.193 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.9 tp -52.48 -36.72 55.63 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.26 1.824 . . . . 0.0 113.046 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.72 -46.32 72.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.291 1.036 . . . . 0.0 110.988 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 m -63.98 -34.95 79.14 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.46 -0.775 . . . . 0.0 111.155 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.484 ' CD2' ' HG ' ' A' ' 55' ' ' CYS . 26.9 t-80 -60.76 -60.33 3.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.365 1.466 . . . . 0.0 110.445 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -57.95 -38.6 76.28 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -70.01 -19.75 63.31 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 m -88.14 -46.24 9.45 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.531 -0.73 . . . . 0.0 109.471 174.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.0 m -54.61 -45.82 73.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.851 1.66 . . . . 0.0 113.651 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.6 tp -58.19 -19.56 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.813 0.845 . . . . 0.0 112.559 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -110.23 5.57 21.91 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.904 2.082 . . . . 0.0 113.036 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.26 11.37 85.01 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.842 1.211 . . . . 0.0 115.576 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -106.49 159.86 15.84 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.793 1.297 . . . . 0.0 112.638 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 48.2 t -107.26 131.32 21.8 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 126.371 1.869 . . . . 0.0 110.9 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -57.74 154.61 36.44 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.467 2.111 . . . . 0.0 112.756 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 51.5 -24.8 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 120.109 3.374 . . . . 0.0 120.109 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.96 -15.48 18.29 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 121.009 1.731 . . . . 0.0 111.341 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 mpt? 59.39 11.21 2.11 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.734 2.814 . . . . 0.0 116.377 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 95.0 m -57.7 142.57 44.72 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.598 1.09 . . . . 0.0 110.466 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.0 mt -122.65 140.6 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.504 1.122 . . . . 0.0 111.287 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.0 t -150.35 -168.82 3.21 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.142 2.577 . . . . 0.0 109.034 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.19 148.78 51.34 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 119.995 -1.691 . . . . 0.0 110.975 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.01 4.42 5.47 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.7 p -75.03 145.24 42.58 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.694 1.198 . . . . 0.0 111.057 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -40.32 72.3 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.275 -0.89 . . . . 0.0 113.396 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 56.3 m -63.52 -41.44 98.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.678 1.191 . . . . 0.0 112.723 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.68 -40.76 69.38 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.125 0.57 . . . . 0.0 111.439 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.26 -46.03 78.51 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.603 0.761 . . . . 0.0 111.495 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -57.9 -40.07 79.42 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.812 0.845 . . . . 0.0 111.684 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.47 71.02 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.363 0.528 . . . . 0.0 111.976 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -77.7 -51.39 10.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.979 0.511 . . . . 0.0 111.319 175.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.55 -20.96 65.19 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -62.76 -21.33 65.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.695 0.798 . . . . 0.0 112.406 173.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.31 -1.33 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 126.152 1.781 . . . . 0.0 114.089 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.2 t -120.31 130.44 54.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.228 1.411 . . . . 0.0 113.839 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -132.89 6.69 3.98 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.221 1.808 . . . . 0.0 112.859 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.95 -18.97 64.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.076 0.951 . . . . 0.0 111.047 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.3 p -44.98 -23.37 0.14 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 129.687 3.195 . . . . 0.0 116.178 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.94 31.76 1.32 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.618 1.58 . . . . 0.0 112.916 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 125.335 1.454 . . . . 0.0 112.369 -177.483 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -158.11 179.7 33.62 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.547 1.07 . . . . 0.0 113.314 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.7 p -54.86 -21.46 11.49 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.6 ttt -90.61 1.29 56.91 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.672 1.189 . . . . 0.0 113.419 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 63.7 t -99.94 131.43 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.011 1.324 . . . . 0.0 110.746 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.59 146.31 52.27 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.585 1.554 . . . . 0.0 113.588 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -70.8 -16.0 62.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.11 1.364 . . . . 0.0 114.66 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -112.96 -73.58 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.019 1.328 . . . . 0.0 112.153 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.5 p -70.55 -3.98 20.74 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.8 m80 45.71 39.5 5.19 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.435 1.894 . . . . 0.0 113.501 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -121.72 168.3 11.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.462 2.305 . . . . 0.0 110.796 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -86.79 167.96 13.93 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.829 1.252 . . . . 0.0 111.559 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.8 t -128.8 171.62 12.08 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.136 1.775 . . . . 0.0 110.075 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -54.98 -38.78 68.27 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.128 -0.982 . . . . 0.0 112.144 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.74 162.99 34.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.736 1.614 . . . . 0.0 110.555 175.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.48 -11.77 61.1 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -94.14 -43.64 8.38 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.5 1.52 . . . . 0.0 111.102 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.62 -20.72 65.9 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.338 0.655 . . . . 0.0 111.529 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.0 tp -54.34 -30.24 50.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.559 1.943 . . . . 0.0 112.856 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.88 -37.64 88.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.741 0.817 . . . . 0.0 111.416 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -73.86 -35.97 64.8 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.119 -0.988 . . . . 0.0 110.144 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -57.26 -60.21 3.96 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.254 1.422 . . . . 0.0 111.066 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -57.78 -37.51 73.85 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.9 -22.02 62.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.244 0.617 . . . . 0.0 112.449 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 m -84.92 -46.22 11.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.469 0.708 . . . . 0.0 109.625 174.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.0 m -51.8 -47.73 64.15 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.431 1.492 . . . . 0.0 113.946 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.9 tp -59.06 -19.31 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 124.119 0.968 . . . . 0.0 112.675 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -111.11 6.59 20.92 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 127.168 2.187 . . . . 0.0 112.843 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.11 13.7 82.49 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.77 1.176 . . . . 0.0 114.906 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -99.5 157.35 16.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.808 1.643 . . . . 0.0 112.325 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 42.7 t -104.75 133.74 20.01 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.832 1.653 . . . . 0.0 108.647 171.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -64.87 155.42 67.81 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 121.806 1.671 . . . . 0.0 111.426 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 50.73 -6.71 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 p -120.62 -14.92 8.55 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.843 1.657 . . . . 0.0 111.893 173.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 54.4 21.88 3.49 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.409 2.684 . . . . 0.0 116.144 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.8 m -63.94 140.17 58.84 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.055 -1.028 . . . . 0.0 108.905 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.9 mm -111.43 134.68 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.215 1.006 . . . . 0.0 111.163 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.2 p -145.49 -175.15 4.61 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.722 2.809 . . . . 0.0 109.044 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -69.78 145.99 51.77 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 119.975 -1.703 . . . . 0.0 111.007 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.11 40.45 0.21 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.696 1.599 . . . . 0.0 114.011 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.9 p -122.58 148.92 44.65 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.206 1.802 . . . . 0.0 110.801 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -57.4 -38.12 73.79 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.098 -1.001 . . . . 0.0 113.074 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m -61.23 -39.86 91.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.981 0.912 . . . . 0.0 112.877 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.32 -42.75 22.42 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.713 0.805 . . . . 0.0 112.38 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.23 -46.43 77.23 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.063 0.945 . . . . 0.0 112.049 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -58.96 -36.75 75.35 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.1 -1.0 . . . . 0.0 112.584 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.43 71.25 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.853 -0.529 . . . . 0.0 112.02 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -75.07 -48.03 25.91 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.8 -0.563 . . . . 0.0 111.03 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -62.8 -20.44 65.03 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.969 -1.082 . . . . 0.0 113.579 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.8 m -64.24 -19.97 65.73 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.487 0.715 . . . . 0.0 112.276 174.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.1 pt -126.27 -5.79 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 126.14 1.776 . . . . 0.0 114.101 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 19.5 t -107.39 133.48 51.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.432 1.493 . . . . 0.0 113.341 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -128.17 -2.36 5.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.082 2.153 . . . . 0.0 113.377 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.95 -7.54 53.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.04 1.336 . . . . 0.0 113.334 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.5 p -50.41 -18.04 0.57 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.37 2.268 . . . . 0.0 116.187 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.22 34.56 1.4 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.395 1.95 . . . . 0.0 112.165 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.724 2.009 . . . . 0.0 115.176 -178.753 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.699 0.285 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.21 -179.7 40.82 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.327 1.441 . . . . 0.0 112.098 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.2 p -53.91 -29.61 42.79 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 tpt -65.17 -11.17 37.57 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.268 1.827 . . . . 0.0 114.416 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.8 t -91.31 129.61 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.422 1.489 . . . . 0.0 110.551 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.99 143.58 42.68 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.884 1.274 . . . . 0.0 113.7 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.32 -16.47 63.56 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.359 1.464 . . . . 0.0 114.601 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -116.09 -58.71 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.113 1.365 . . . . 0.0 113.592 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.2 p -84.23 0.35 49.18 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 41.48 40.31 1.28 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.658 1.983 . . . . 0.0 114.25 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -116.52 147.74 41.49 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.272 2.229 . . . . 0.0 109.458 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.74 129.14 38.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.376 -0.827 . . . . 0.0 110.156 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.459 ' HG ' ' CD2' ' A' ' 64' ' ' HIS . 7.5 t -74.44 163.54 27.65 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.35 -45.55 93.06 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.392 1.077 . . . . 0.0 111.371 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.77 165.49 28.67 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.619 1.568 . . . . 0.0 111.522 177.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.93 -18.04 64.64 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -83.67 -43.62 15.37 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.778 1.631 . . . . 0.0 111.057 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -72.44 -17.84 61.75 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.4 tp -43.03 -50.21 5.99 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.823 2.449 . . . . 0.0 115.383 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -73.98 -40.25 63.12 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.476 -0.765 . . . . 0.0 111.899 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.9 m -59.61 -32.61 70.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.305 0.642 . . . . 0.0 111.529 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.459 ' CD2' ' HG ' ' A' ' 55' ' ' CYS . 29.1 t-80 -61.83 -60.24 3.95 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.985 1.314 . . . . 0.0 111.072 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -57.94 -35.38 71.03 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.83 -20.19 65.61 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.26 1.024 . . . . 0.0 113.484 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.8 m -102.2 -36.18 8.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.945 0.898 . . . . 0.0 110.863 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 79.0 m -55.51 -45.12 77.13 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.54 1.136 . . . . 0.0 112.393 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.63 -19.44 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 124.363 1.065 . . . . 0.0 112.915 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -110.17 5.96 22.34 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 127.065 2.146 . . . . 0.0 112.973 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.84 26.21 74.66 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.778 1.18 . . . . 0.0 114.738 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -120.64 146.27 46.57 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.384 1.474 . . . . 0.0 113.408 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.5 t -76.84 134.81 68.21 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-O 118.74 -0.648 . . . . 0.0 109.563 172.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.53 -12.69 36.19 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.073 2.516 . . . . 0.0 116.006 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -136.43 -43.39 0.62 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.44 -6.4 59.27 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 121.226 1.83 . . . . 0.0 112.305 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.8 mmt 59.09 18.67 6.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.394 2.678 . . . . 0.0 115.365 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 m -58.11 138.28 56.24 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.677 0.791 . . . . 0.0 109.742 174.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.6 mm -113.22 135.13 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.939 1.296 . . . . 0.0 110.723 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.7 t -156.8 -168.9 2.8 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.083 2.153 . . . . 0.0 109.339 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -69.63 153.65 43.13 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.164 -1.585 . . . . 0.0 111.661 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.67 4.61 9.1 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.948 0.899 . . . . 0.0 113.323 177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.2 p -78.37 153.12 31.89 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.172 1.389 . . . . 0.0 112.713 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.94 -43.04 95.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.778 0.831 . . . . 0.0 112.013 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m -59.13 -36.18 74.77 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.822 0.849 . . . . 0.0 112.705 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.22 -41.29 25.42 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.682 0.793 . . . . 0.0 112.218 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.45 -38.59 62.94 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -63.32 -40.82 98.39 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.584 -1.322 . . . . 0.0 110.629 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.0 75.04 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.045 0.538 . . . . 0.0 111.461 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -65.76 -56.83 9.93 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.928 0.891 . . . . 0.0 111.191 174.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -66.19 -20.66 66.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -64.39 -19.73 65.68 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.168 -0.958 . . . . 0.0 112.453 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.7 pt -121.83 -2.02 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.59 1.556 . . . . 0.0 114.206 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.5 t -118.12 125.33 50.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.558 1.543 . . . . 0.0 112.744 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -130.76 16.15 5.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.236 1.814 . . . . 0.0 112.2 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.15 -12.18 59.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.135 1.374 . . . . 0.0 110.874 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 p -55.29 0.59 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 130.53 3.532 . . . . 0.0 117.418 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.18 28.83 0.89 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.073 1.797 . . . . 0.0 112.807 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.094 1.358 . . . . 0.0 112.691 -177.765 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 53.5 ttp . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -166.87 -175.76 37.29 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.475 1.036 . . . . 0.0 113.182 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.0 p -57.42 -19.61 24.71 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.5 ttt -83.73 4.72 27.58 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.16 1.384 . . . . 0.0 113.441 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.2 t -103.26 133.44 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.303 1.441 . . . . 0.0 111.495 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -63.73 144.98 56.6 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.624 1.57 . . . . 0.0 113.235 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -70.2 -12.0 61.29 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -116.02 -71.51 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 124.812 1.245 . . . . 0.0 112.199 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 p -72.7 -2.16 19.15 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.2 m80 43.33 40.19 2.46 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.477 1.911 . . . . 0.0 113.564 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -123.05 164.55 18.38 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.785 2.434 . . . . 0.0 110.46 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.43 173.68 12.36 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.803 1.241 . . . . 0.0 112.222 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.6 t -132.88 164.19 27.46 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.349 1.86 . . . . 0.0 109.181 176.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -55.38 -32.05 62.29 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.253 -0.904 . . . . 0.0 112.317 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.24 158.1 44.1 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.447 1.499 . . . . 0.0 110.769 174.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.72 -11.09 60.48 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -90.78 -45.28 8.91 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.491 1.516 . . . . 0.0 111.198 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -66.44 -17.13 64.61 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.342 0.657 . . . . 0.0 112.089 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.2 tp -55.15 -31.91 61.69 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.99 1.716 . . . . 0.0 112.693 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.97 -34.56 76.79 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.113 -0.992 . . . . 0.0 111.708 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 m -75.25 -33.64 61.33 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.361 -0.837 . . . . 0.0 110.054 173.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -56.09 -59.4 4.98 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.568 1.547 . . . . 0.0 110.288 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -56.69 -38.81 72.76 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -69.51 -19.9 63.72 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.747 0.819 . . . . 0.0 112.872 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -91.19 -43.03 10.1 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.159 0.984 . . . . 0.0 109.699 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.6 m -55.21 -45.6 75.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.851 1.66 . . . . 0.0 113.355 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.9 tp -59.03 -19.46 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.653 0.781 . . . . 0.0 112.346 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -110.6 7.24 22.34 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.269 2.228 . . . . 0.0 112.599 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.36 20.62 78.35 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.577 1.56 . . . . 0.0 115.761 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -117.53 158.02 25.29 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.349 1.575 . . . . 0.0 113.641 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.9 t -89.96 137.01 28.39 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 125.126 1.37 . . . . 0.0 110.56 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.55 -13.94 42.35 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.432 2.755 . . . . 0.0 116.644 -177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -132.26 -42.61 0.97 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -176.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.4 p -84.02 -6.2 59.37 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 121.153 1.797 . . . . 0.0 112.158 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.38 7.32 1.26 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.746 2.818 . . . . 0.0 115.918 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 56.6 m -57.91 144.72 38.1 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.598 1.159 . . . . 0.0 110.477 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.5 mt -121.75 138.21 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.552 1.141 . . . . 0.0 110.814 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.2 p -142.22 -174.27 4.06 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.948 2.899 . . . . 0.0 108.715 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 mp0 -65.62 150.48 48.37 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.174 -1.579 . . . . 0.0 109.256 172.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.31 7.18 3.68 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.7 p -78.52 151.06 32.74 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.923 1.289 . . . . 0.0 112.205 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.35 -41.68 89.76 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.321 -0.862 . . . . 0.0 112.215 178.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.4 m -59.41 -38.12 79.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.265 1.026 . . . . 0.0 112.701 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.04 -39.66 29.38 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.521 0.728 . . . . 0.0 112.068 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.4 mt -72.33 -43.04 64.7 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -59.22 -40.94 87.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.617 1.098 . . . . 0.0 111.323 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.39 71.26 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.048 0.539 . . . . 0.0 111.928 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.05 -43.73 42.49 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.383 0.673 . . . . 0.0 112.385 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -68.98 -19.57 64.16 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.109 -1.619 . . . . 0.0 112.814 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.3 m -73.25 -19.45 61.06 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.306 -0.872 . . . . 0.0 110.412 169.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -95.9 -30.48 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 128.949 2.9 . . . . 0.0 111.804 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.6 t -114.24 141.31 47.72 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.169 1.787 . . . . 0.0 114.911 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -139.01 7.24 2.44 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.58 1.952 . . . . 0.0 112.57 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 99.4 mt -75.62 -5.97 48.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.955 1.302 . . . . 0.0 112.816 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 64.0 p -55.5 5.11 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 129.921 3.289 . . . . 0.0 117.57 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.74 28.29 0.19 Allowed Glycine 0 CA--C 1.535 1.321 0 C-N-CA 126.491 1.996 . . . . 0.0 112.48 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.63 1.572 . . . . 0.0 114.662 -178.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.68 -40.63 0.86 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.029 0.823 . . . . 0.0 115.026 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.9 p -60.4 -23.93 64.75 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.1 ttt -125.92 28.49 6.12 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.203 1.801 . . . . 0.0 111.734 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.3 t -125.38 138.55 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.398 1.479 . . . . 0.0 111.066 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.41 150.66 21.78 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.421 1.488 . . . . 0.0 114.085 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.25 -14.26 57.63 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.649 1.18 . . . . 0.0 113.898 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.85 -65.53 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.984 1.314 . . . . 0.0 113.13 -177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.64 -9.19 59.6 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.309 1.4 t60 49.94 38.16 15.58 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.412 1.885 . . . . 0.0 114.771 -177.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -109.78 160.22 16.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.526 1.93 . . . . 0.0 110.645 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -75.73 160.23 30.25 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.61 1.164 . . . . 0.0 111.612 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.1 t -129.11 165.84 20.47 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.539 1.535 . . . . 0.0 111.061 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -53.43 -43.75 68.27 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.243 1.417 . . . . 0.0 113.013 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 p -143.8 165.28 28.13 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.126 1.37 . . . . 0.0 111.318 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.47 -14.31 62.91 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -90.19 -45.2 9.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.352 1.461 . . . . 0.0 110.512 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -66.43 -17.63 64.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.526 0.731 . . . . 0.0 111.878 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.24 -34.14 68.28 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.872 1.669 . . . . 0.0 112.554 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.92 -45.39 82.04 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.362 0.665 . . . . 0.0 110.209 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.1 m -62.02 -31.21 71.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.656 1.182 . . . . 0.0 111.591 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -68.02 -60.61 2.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.064 1.346 . . . . 0.0 110.497 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -59.64 -39.84 85.69 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -68.2 -19.62 64.78 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.062 0.846 . . . . 0.0 113.008 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 m -87.15 -46.41 9.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.526 0.73 . . . . 0.0 109.825 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 93.2 m -53.11 -44.52 67.7 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.173 1.389 . . . . 0.0 113.832 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.9 tp -58.93 -19.56 15.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.823 0.849 . . . . 0.0 112.733 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -113.2 7.26 17.8 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.966 2.107 . . . . 0.0 112.742 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.57 8.7 84.37 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.353 1.454 . . . . 0.0 115.987 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -90.82 153.84 19.94 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.699 1.599 . . . . 0.0 111.897 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 52.8 t -107.61 131.39 21.76 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.516 1.926 . . . . 0.0 108.688 171.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -64.32 155.86 63.23 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.128 1.885 . . . . 0.0 111.755 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 53.42 -40.85 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 130.224 3.41 . . . . 0.0 119.249 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -84.93 -13.62 50.23 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 121.781 2.082 . . . . 0.0 111.914 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.3 mmt 57.42 24.59 10.35 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.787 2.835 . . . . 0.0 116.657 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.2 m -66.1 147.1 53.85 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.308 -0.87 . . . . 0.0 109.374 173.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.0 mt -131.7 139.38 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.385 1.074 . . . . 0.0 110.256 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.4 t -148.33 -167.73 2.89 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.744 1.618 . . . . 0.0 112.607 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -53.63 -8.08 0.14 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 129.812 3.245 . . . . 0.0 118.982 -174.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 65.82 8.63 5.43 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.2 p -90.45 150.55 21.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.356 1.062 . . . . 0.0 110.308 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.74 -32.12 67.13 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.931 -1.105 . . . . 0.0 112.807 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -68.23 -44.98 74.5 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.089 0.956 . . . . 0.0 111.848 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.68 78.93 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.226 0.61 . . . . 0.0 111.965 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.23 -48.11 58.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -59.9 -37.0 78.15 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.341 0.973 . . . . 0.0 111.849 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.15 -35.42 77.06 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.536 0.607 . . . . 0.0 111.699 175.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -72.71 -49.1 33.45 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.775 -0.578 . . . . 0.0 110.982 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -63.35 -19.85 65.0 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.3 m -63.45 -20.98 66.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.466 0.706 . . . . 0.0 111.978 172.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.4 pt -123.58 -5.0 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 C-N-CA 126.409 1.884 . . . . 0.0 114.017 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 15.5 t -116.67 125.13 51.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.485 1.514 . . . . 0.0 114.309 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -128.78 11.79 6.19 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.716 1.606 . . . . 0.0 112.965 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.0 mp -75.34 -8.89 57.86 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.857 1.263 . . . . 0.0 111.37 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.4 p -47.05 -16.34 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 130.387 3.475 . . . . 0.0 117.96 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.26 32.65 1.96 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.717 1.627 . . . . 0.0 112.58 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.346 0 CA-C-O 115.895 -2.002 . . . . 0.0 115.727 -178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 110.725 -0.102 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.01 166.42 33.36 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.313 0.959 . . . . 0.0 113.416 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.1 p -65.82 -10.81 41.15 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt -105.93 14.13 28.42 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.9 2.08 . . . . 0.0 112.087 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 t -126.46 137.94 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.167 1.387 . . . . 0.0 111.53 -175.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.64 151.12 25.55 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.75 1.62 . . . . 0.0 114.085 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -83.29 -9.34 59.16 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.735 1.214 . . . . 0.0 114.079 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -116.71 -60.82 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.996 1.318 . . . . 0.0 113.348 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.0 p -86.38 -7.23 58.62 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.324 1.8 t60 47.71 39.96 11.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.395 1.878 . . . . 0.0 115.308 -176.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -114.5 160.35 19.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.571 1.948 . . . . 0.0 110.389 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.7 170.5 16.56 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.554 1.142 . . . . 0.0 112.539 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.3 t -134.78 169.82 16.78 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.963 1.705 . . . . 0.0 110.786 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -55.6 -40.65 72.35 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.75 1.22 . . . . 0.0 112.302 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 p -142.59 164.31 30.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.621 1.568 . . . . 0.0 111.358 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.62 -13.45 61.76 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 121.566 -0.709 . . . . 0.0 112.903 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -88.28 -46.28 9.34 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.567 1.547 . . . . 0.0 110.769 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -18.28 65.18 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.455 1.102 . . . . 0.0 111.661 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.37 -31.68 66.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.396 1.478 . . . . 0.0 112.286 175.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.16 -46.06 82.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.479 -0.763 . . . . 0.0 110.028 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 m -62.42 -31.93 72.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.021 0.929 . . . . 0.0 111.239 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -64.96 -60.65 2.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.007 1.323 . . . . 0.0 110.518 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -59.16 -41.02 87.39 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.89 -19.58 64.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.008 0.822 . . . . 0.0 113.02 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 m -87.26 -46.14 9.98 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.432 0.693 . . . . 0.0 109.477 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -53.67 -45.23 70.22 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.525 1.53 . . . . 0.0 113.575 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.1 tp -58.33 -19.51 13.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.723 0.809 . . . . 0.0 112.623 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -110.55 6.35 21.86 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.189 2.196 . . . . 0.0 112.852 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.76 15.99 80.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.873 1.225 . . . . 0.0 115.001 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.09 161.28 15.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.308 1.443 . . . . 0.0 112.579 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 50.9 t -108.52 136.9 19.87 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 126.393 1.877 . . . . 0.0 110.396 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -65.25 157.15 59.22 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.39 2.06 . . . . 0.0 111.407 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 52.78 -28.76 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 129.787 3.235 . . . . 0.0 119.564 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.1 p -96.47 -18.24 19.99 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 121.604 2.002 . . . . 0.0 110.985 172.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.3 mtt 58.77 14.39 3.19 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 128.558 2.743 . . . . 0.0 116.383 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.4 m -60.82 144.35 52.79 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.054 0.942 . . . . 0.0 110.294 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.7 mt -121.45 142.15 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.663 1.185 . . . . 0.0 111.403 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.2 t -149.42 -167.11 2.74 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 128.616 2.767 . . . . 0.0 108.455 176.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.76 148.86 48.62 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 119.842 -1.786 . . . . 0.0 111.001 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.29 5.23 4.72 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.9 p -76.46 149.32 36.82 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.518 1.127 . . . . 0.0 111.626 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -58.24 -41.67 84.68 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.161 -0.962 . . . . 0.0 112.191 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 m -59.72 -39.4 84.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.185 0.994 . . . . 0.0 112.754 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.78 -38.45 46.68 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.454 0.701 . . . . 0.0 111.89 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.7 mt -69.97 -47.21 63.18 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.785 -0.572 . . . . 0.0 111.758 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -59.73 -36.15 76.0 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.145 0.884 . . . . 0.0 111.701 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.64 85.46 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.532 0.605 . . . . 0.0 111.18 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -72.7 -46.74 52.14 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.834 -0.542 . . . . 0.0 111.447 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -64.32 -20.71 66.27 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.478 -1.389 . . . . 0.0 113.717 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t -74.18 -19.68 60.46 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.088 0.955 . . . . 0.0 112.028 171.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.95 -34.46 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 127.838 2.455 . . . . 0.0 112.053 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.7 t -97.87 147.33 24.55 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -169.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.72 7.48 1.68 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.119 2.168 . . . . 0.0 112.918 175.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.1 mp -83.83 -6.76 59.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.239 1.416 . . . . 0.0 112.881 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.4 p -48.74 -17.68 0.2 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 128.371 2.669 . . . . 0.0 117.194 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.83 30.79 1.37 Allowed Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.812 1.672 . . . . 0.0 112.685 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.5 ptt85 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 125.982 1.713 . . . . 0.0 114.886 -179.285 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.1 ttm . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -164.94 -170.99 30.63 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.538 1.066 . . . . 0.0 113.149 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.0 m -52.96 -17.44 1.43 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt -89.55 6.93 38.87 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.639 1.576 . . . . 0.0 113.158 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.8 t -117.86 139.19 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.125 1.37 . . . . 0.0 111.9 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.3 t -60.94 145.28 51.03 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.087 1.755 . . . . 0.0 113.636 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.31 -13.8 60.45 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 80.2 t -113.3 -61.44 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.737 1.215 . . . . 0.0 113.441 -176.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 p -89.03 0.7 56.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 45.11 40.13 4.51 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.505 1.922 . . . . 0.0 113.682 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -116.37 166.44 12.06 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.098 2.159 . . . . 0.0 111.144 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -90.24 167.81 12.41 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.043 1.337 . . . . 0.0 111.856 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.1 t -133.17 164.05 27.91 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.195 1.798 . . . . 0.0 110.153 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.39 -33.75 68.16 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -142.5 158.56 43.56 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.887 1.275 . . . . 0.0 111.588 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.87 -16.46 64.1 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -48.97 9.06 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.509 1.524 . . . . 0.0 109.071 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.05 -15.2 63.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.824 0.85 . . . . 0.0 111.76 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.04 -28.93 70.13 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.89 1.276 . . . . 0.0 111.368 172.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.6 -36.27 70.76 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.813 -1.179 . . . . 0.0 109.613 172.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -67.57 -32.48 73.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.966 1.306 . . . . 0.0 110.691 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -64.35 -63.54 1.11 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.348 1.859 . . . . 0.0 111.357 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -57.39 -39.92 77.13 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -68.14 -18.51 64.64 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -94.65 -40.43 9.82 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.332 1.053 . . . . 0.0 110.258 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 92.0 m -55.54 -41.14 72.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.566 1.546 . . . . 0.0 113.525 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.8 tt -58.11 -19.8 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -111.43 9.6 21.42 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.276 1.831 . . . . 0.0 112.518 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.8 25.41 74.15 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.083 1.325 . . . . 0.0 114.673 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -117.23 148.77 41.35 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.276 1.43 . . . . 0.0 113.591 -174.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.2 t -79.95 135.61 55.1 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.097 0.959 . . . . 0.0 110.835 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -50.39 -33.21 36.65 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 124.556 3.504 . . . . 0.0 117.853 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -139.47 -25.95 0.83 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 -175.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -5.53 59.17 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.545 1.975 . . . . 0.0 112.813 177.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.7 mmt 62.66 13.4 6.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.261 2.624 . . . . 0.0 115.25 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.1 m -64.15 141.72 58.67 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.193 -0.942 . . . . 0.0 109.51 174.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.7 mt -129.3 139.29 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.848 1.259 . . . . 0.0 110.091 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.8 t -152.45 -166.73 2.55 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.764 2.426 . . . . 0.0 109.131 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -65.29 152.25 44.21 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.255 -1.528 . . . . 0.0 111.918 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.32 0.63 16.08 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.0 p -71.77 148.55 46.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.906 1.282 . . . . 0.0 111.824 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -38.99 79.45 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.554 -0.716 . . . . 0.0 112.34 177.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -60.12 -44.45 94.88 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.933 0.893 . . . . 0.0 112.952 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.5 -42.99 70.6 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.612 -0.68 . . . . 0.0 111.897 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.5 mt -68.79 -39.16 80.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.19 0.596 . . . . 0.0 112.21 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -62.94 -39.21 93.93 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.758 -1.214 . . . . 0.0 110.737 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.87 93.62 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.499 0.591 . . . . 0.0 110.868 174.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -63.25 -56.66 14.74 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.799 0.84 . . . . 0.0 111.104 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -65.16 -19.7 66.1 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.925 -1.109 . . . . 0.0 113.948 -177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.3 m -66.15 -19.94 65.99 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.383 -0.823 . . . . 0.0 112.273 172.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 pp -121.21 1.36 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.753 1.621 . . . . 0.0 114.212 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.8 t -124.78 134.15 52.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.965 1.706 . . . . 0.0 112.819 -178.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -128.89 -0.23 5.33 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.821 1.648 . . . . 0.0 113.724 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.3 -5.25 34.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.698 1.199 . . . . 0.0 112.537 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.2 p -50.51 -25.29 3.88 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.415 2.686 . . . . 0.0 115.685 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.22 33.84 0.38 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.648 1.118 . . . . 0.0 113.474 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.98 2.112 . . . . 0.0 110.824 -177.384 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 110.783 -0.08 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.57 173.51 44.75 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.496 1.046 . . . . 0.0 113.159 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 p -61.61 -13.93 26.18 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 tpt -118.29 21.41 12.7 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.775 2.03 . . . . 0.0 112.157 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 t -128.47 126.89 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.102 1.361 . . . . 0.0 111.482 -176.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.39 148.17 38.18 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.26 1.424 . . . . 0.0 114.655 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.81 -12.48 60.7 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.912 1.685 . . . . 0.0 114.284 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.86 -66.16 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.502 1.521 . . . . 0.0 112.917 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.58 -8.89 59.76 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.289 0.1 OUTLIER 52.33 34.68 15.4 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.249 1.42 . . . . 0.0 114.529 -177.857 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -118.27 159.29 23.61 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.505 2.322 . . . . 0.0 109.786 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -79.73 171.9 14.51 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.498 1.119 . . . . 0.0 113.145 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.7 t -123.9 178.43 5.27 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.155 2.182 . . . . 0.0 109.346 177.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.02 -35.79 77.82 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.451 -1.405 . . . . 0.0 111.059 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 p -140.64 160.4 40.11 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.858 1.663 . . . . 0.0 111.354 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.18 -13.38 62.16 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -86.73 -45.65 10.76 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.365 1.466 . . . . 0.0 111.11 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.13 -12.49 61.64 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.3 tp -57.55 -30.94 65.63 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.385 1.474 . . . . 0.0 112.087 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.83 -37.4 87.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.749 1.22 . . . . 0.0 111.023 175.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.8 m -77.0 -33.46 57.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.219 1.007 . . . . 0.0 110.825 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -56.16 -60.01 4.1 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.761 1.624 . . . . 0.0 110.003 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -56.83 -37.55 71.38 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.87 -19.28 65.01 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.407 1.083 . . . . 0.0 113.044 177.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.5 m -95.25 -41.01 9.27 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.676 1.191 . . . . 0.0 110.034 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.7 m -55.71 -41.57 73.99 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.767 1.627 . . . . 0.0 113.416 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.1 tt -58.22 -19.7 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 123.639 0.776 . . . . 0.0 112.98 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -112.4 9.93 19.77 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.462 1.905 . . . . 0.0 112.444 176.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.45 24.32 77.01 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.479 1.514 . . . . 0.0 115.761 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -119.11 152.52 36.36 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.705 1.602 . . . . 0.0 114.128 -175.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.1 t -81.42 138.09 48.26 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.779 1.232 . . . . 0.0 111.156 174.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -65.35 -13.26 38.84 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.694 2.929 . . . . 0.0 116.136 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -132.46 -43.81 0.92 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 116.976 2.213 . . . . 0.0 116.976 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.4 p -84.28 -5.98 59.33 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 121.351 1.887 . . . . 0.0 112.236 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.0 mmt 59.7 8.49 1.32 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.62 2.768 . . . . 0.0 115.621 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.1 m -59.83 145.1 46.73 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.589 1.156 . . . . 0.0 110.195 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.6 mt -125.01 138.01 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.967 1.307 . . . . 0.0 110.001 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.1 p -131.58 -84.01 0.51 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.913 1.285 . . . . 0.0 108.895 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -152.31 156.46 39.68 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.265 2.226 . . . . 0.0 109.837 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.79 -0.68 21.9 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.1 p -73.81 146.98 43.79 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.218 1.007 . . . . 0.0 111.37 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.84 -31.97 72.26 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.149 -0.97 . . . . 0.0 111.534 176.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.8 m -63.07 -44.0 96.99 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.477 1.111 . . . . 0.0 112.701 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.97 -41.33 59.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.226 0.61 . . . . 0.0 111.633 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.93 -44.72 76.18 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.641 0.776 . . . . 0.0 112.584 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.56 -39.34 87.65 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.023 1.283 . . . . 0.0 111.342 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.43 94.19 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.188 0.449 . . . . 0.0 111.105 175.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -69.47 -50.65 43.45 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.257 0.623 . . . . 0.0 111.942 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -65.45 -19.87 66.12 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.441 -1.412 . . . . 0.0 113.733 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -72.49 -19.56 61.53 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.539 0.736 . . . . 0.0 111.669 170.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.25 -35.36 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 127.977 2.511 . . . . 0.0 111.452 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.0 t -95.42 125.66 40.19 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 -169.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -117.81 1.85 12.16 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.88 2.072 . . . . 0.0 111.965 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.9 -5.56 41.86 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.403 1.481 . . . . 0.0 112.758 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.8 p -56.39 13.49 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 130.048 3.339 . . . . 0.0 117.414 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.26 23.54 0.11 Allowed Glycine 0 CA--C 1.54 1.603 0 C-N-CA 127.484 2.469 . . . . 0.0 112.742 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.545 1.538 . . . . 0.0 114.578 -178.584 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.734 -0.65 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -164.31 -28.58 0.02 OUTLIER Glycine 0 N--CA 1.477 1.405 0 N-CA-C 116.779 1.472 . . . . 0.0 116.779 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.1 p -56.17 -27.52 54.72 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 ttt -127.23 33.03 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.071 1.748 . . . . 0.0 111.878 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.4 t -125.33 135.86 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.257 1.423 . . . . 0.0 111.467 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.8 t -64.09 144.74 56.88 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.036 1.335 . . . . 0.0 112.618 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.43 -14.05 62.39 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.0 1.32 . . . . 0.0 114.196 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.26 -71.75 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 125.207 1.403 . . . . 0.0 112.878 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 p -72.82 -4.01 29.01 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.251 51.6 m80 47.87 35.28 4.67 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.02 2.128 . . . . 0.0 114.326 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -118.62 163.09 17.33 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.333 2.253 . . . . 0.0 110.223 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -80.51 168.31 19.09 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.185 0.994 . . . . 0.0 112.847 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.8 t -119.32 167.3 12.02 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.235 1.814 . . . . 0.0 109.123 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -55.03 -35.87 64.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.236 -0.915 . . . . 0.0 112.178 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 p -141.77 162.33 35.75 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.503 1.521 . . . . 0.0 111.199 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.95 -16.8 62.1 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 121.44 -0.788 . . . . 0.0 112.423 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -79.9 -47.56 14.87 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.849 1.66 . . . . 0.0 111.11 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -75.6 -4.67 41.38 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 tp -57.2 -33.03 67.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.095 1.358 . . . . 0.0 112.404 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.64 -50.61 64.38 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.589 -0.695 . . . . 0.0 109.42 173.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 m -55.3 -35.46 65.12 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.26 1.024 . . . . 0.0 111.479 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -61.35 -60.17 4.15 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.037 1.335 . . . . 0.0 110.576 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -60.01 -36.97 78.36 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -68.17 -19.99 64.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.868 0.758 . . . . 0.0 112.781 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.8 m -88.77 -45.03 10.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.655 0.782 . . . . 0.0 109.737 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.9 m -55.84 -44.68 78.22 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.525 1.53 . . . . 0.0 113.378 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.6 tp -59.46 -19.38 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 123.522 0.729 . . . . 0.0 112.485 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -108.19 6.75 27.02 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.053 2.141 . . . . 0.0 112.736 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.29 23.87 77.27 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.311 1.434 . . . . 0.0 115.706 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -122.97 159.35 28.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.905 1.682 . . . . 0.0 113.268 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.3 t -94.03 137.94 22.81 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.348 1.459 . . . . 0.0 111.793 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -64.98 148.78 89.89 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 121.371 1.381 . . . . 0.0 109.799 173.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 53.76 -42.52 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 129.485 3.114 . . . . 0.0 118.569 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -25.6 56.19 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 121.313 1.87 . . . . 0.0 111.037 175.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . 0.25 61.2 mtt 61.91 13.64 5.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.927 2.491 . . . . 0.0 116.303 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.9 m -58.78 140.94 54.34 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.111 0.964 . . . . 0.0 110.155 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.0 mt -121.83 142.91 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.877 1.271 . . . . 0.0 110.712 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.466 HG22 ' H ' ' A' ' 81' ' ' GLU . 4.5 t -144.09 -89.22 0.12 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.781 1.232 . . . . 0.0 109.479 174.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.466 ' H ' HG22 ' A' ' 80' ' ' THR . 51.6 mm-40 -149.64 158.07 43.83 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.995 2.118 . . . . 0.0 109.171 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.9 1.26 18.1 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.5 p -76.12 145.46 39.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.363 1.065 . . . . 0.0 111.516 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.09 -38.05 81.79 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.105 -0.997 . . . . 0.0 111.597 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 m -58.34 -38.77 77.84 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.226 1.01 . . . . 0.0 112.715 177.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.06 -40.41 27.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.669 0.787 . . . . 0.0 112.148 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.13 -39.53 71.94 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.828 -0.545 . . . . 0.0 112.094 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -59.68 -43.91 93.84 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.973 -1.079 . . . . 0.0 110.737 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.95 81.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.52 0.728 . . . . 0.0 111.667 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -64.35 -54.31 35.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.577 0.751 . . . . 0.0 111.287 175.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -65.99 -20.94 66.36 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -175.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.2 m -62.04 -19.87 63.34 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.699 0.681 . . . . 0.0 112.616 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.6 pt -124.64 3.42 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 125.618 1.567 . . . . 0.0 115.073 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.2 t -121.83 136.05 54.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.865 1.266 . . . . 0.0 114.326 -177.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.52 16.18 2.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.629 1.971 . . . . 0.0 113.616 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.7 mt -94.69 8.7 41.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.119 1.368 . . . . 0.0 111.665 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.2 p -55.74 -17.05 5.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.648 2.379 . . . . 0.0 116.048 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.24 32.79 0.29 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 126.151 1.834 . . . . 0.0 111.617 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.9 ttm105 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 127.018 2.127 . . . . 0.0 111.437 -174.622 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tpt . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.65 137.8 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.316 1.446 . . . . 0.0 112.476 -174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.0 t -67.91 145.1 54.91 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.18 1.392 . . . . 0.0 113.705 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -72.02 -15.66 62.04 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.784 1.234 . . . . 0.0 114.312 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.9 t -112.57 -63.81 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 125.01 1.324 . . . . 0.0 113.176 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 p -80.52 -8.7 59.67 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.256 0.3 OUTLIER 52.63 27.84 5.57 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.323 1.449 . . . . 0.0 114.541 -177.562 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -104.41 162.9 12.84 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.278 1.831 . . . . 0.0 110.332 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -78.42 166.67 22.36 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.543 1.137 . . . . 0.0 113.121 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.3 t -134.91 161.78 34.27 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.673 1.989 . . . . 0.0 108.961 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.05 -29.8 70.72 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.7 p -141.05 157.91 44.66 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.714 1.206 . . . . 0.0 111.642 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -14.09 61.83 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -88.14 -42.02 12.62 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.429 1.491 . . . . 0.0 111.438 179.04 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.56 -23.71 62.66 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.65 0.78 . . . . 0.0 111.098 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.9 tp -54.37 -34.82 61.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.855 1.662 . . . . 0.0 112.755 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.2 -32.09 71.14 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.359 1.064 . . . . 0.0 111.808 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.4 m -79.47 -34.95 40.98 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.409 0.684 . . . . 0.0 110.51 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -52.1 -59.64 4.13 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.034 1.734 . . . . 0.0 110.429 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -56.23 -36.91 69.03 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -70.03 -19.88 63.28 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.103 0.961 . . . . 0.0 113.215 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 m -93.88 -40.83 9.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.836 0.854 . . . . 0.0 109.495 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.8 m -56.1 -43.33 77.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.381 1.472 . . . . 0.0 113.16 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.8 tp -59.07 -19.59 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.79 0.836 . . . . 0.0 112.369 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -109.14 5.7 24.18 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 127.224 2.21 . . . . 0.0 112.558 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.75 19.99 79.52 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.378 1.466 . . . . 0.0 115.246 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -116.86 155.01 29.76 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.213 1.405 . . . . 0.0 113.822 -175.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.7 t -83.11 136.54 43.62 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 124.644 1.177 . . . . 0.0 110.201 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -64.88 -13.21 38.24 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.455 2.77 . . . . 0.0 116.532 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -134.54 -43.2 0.76 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.0 p -81.89 -6.19 58.89 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.127 1.785 . . . . 0.0 112.293 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.7 mmt 60.45 8.09 1.54 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.816 2.846 . . . . 0.0 116.117 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.7 m -57.62 142.53 44.5 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.413 1.085 . . . . 0.0 110.285 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.7 mt -120.22 139.93 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.618 1.167 . . . . 0.0 110.755 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 t -149.33 -169.23 3.32 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.965 2.506 . . . . 0.0 109.174 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.39 143.16 57.31 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.138 -1.601 . . . . 0.0 111.155 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.32 41.59 0.39 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.723 1.209 . . . . 0.0 113.164 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.9 p -119.36 149.22 42.19 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.311 1.844 . . . . 0.0 110.421 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.11 -36.03 74.45 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.28 -0.887 . . . . 0.0 112.798 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.6 m -61.82 -41.54 97.9 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.268 1.027 . . . . 0.0 112.729 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.83 -42.02 35.06 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.495 0.718 . . . . 0.0 111.902 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.84 -42.26 90.75 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.427 0.691 . . . . 0.0 111.625 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.76 -40.57 92.99 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.115 -0.991 . . . . 0.0 111.179 175.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.21 81.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.527 0.603 . . . . 0.0 111.528 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -71.23 -53.99 12.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.46 0.704 . . . . 0.0 111.615 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -64.57 -19.83 65.88 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.9 m -64.09 -20.11 65.72 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.379 -0.826 . . . . 0.0 112.136 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.8 pt -122.8 1.6 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.949 1.7 . . . . 0.0 113.99 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.7 t -121.93 127.34 50.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.808 1.643 . . . . 0.0 113.013 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -128.35 6.98 5.84 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.948 1.699 . . . . 0.0 112.975 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.45 -14.9 62.86 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.189 0.996 . . . . 0.0 111.33 172.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.6 p -46.76 -16.44 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 130.03 3.332 . . . . 0.0 116.058 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.85 34.81 0.41 Allowed Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.189 1.852 . . . . 0.0 112.207 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 . . . . . 0 C--O 1.251 1.133 0 C-N-CA 125.726 1.611 . . . . 0.0 112.153 -178.585 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 ttt . . . . . 0 CA--C 1.548 0.876 0 CA-C-O 121.285 0.564 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.2 t -126.37 138.2 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.585 1.554 . . . . 0.0 111.222 -176.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.2 t -61.18 152.62 28.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.518 1.527 . . . . 0.0 113.921 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -85.12 -9.46 57.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.995 1.318 . . . . 0.0 113.834 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.6 t -116.95 -61.09 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.134 1.374 . . . . 0.0 113.098 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.1 p -85.23 -7.39 59.05 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.296 1.5 t60 48.03 36.65 6.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.987 1.715 . . . . 0.0 114.975 -177.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -111.69 160.15 17.54 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.719 2.008 . . . . 0.0 110.031 177.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.5 169.68 17.61 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.963 0.905 . . . . 0.0 112.454 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.4 t -133.34 157.67 44.92 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.268 1.827 . . . . 0.0 108.626 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -59.72 -27.74 66.73 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.33 157.27 45.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.727 1.211 . . . . 0.0 111.215 176.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.78 -12.8 60.81 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -89.69 -45.08 9.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.202 1.401 . . . . 0.0 111.192 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.69 -14.53 63.08 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.663 0.785 . . . . 0.0 112.325 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.4 tp -56.14 -32.16 64.0 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.634 1.574 . . . . 0.0 112.368 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -69.54 -40.91 76.58 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.181 -0.949 . . . . 0.0 111.154 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -63.43 -35.47 80.52 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.646 -0.659 . . . . 0.0 110.448 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -58.4 -60.46 3.75 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.365 1.466 . . . . 0.0 110.216 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -58.91 -38.13 78.21 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.86 -24.1 67.44 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.965 0.906 . . . . 0.0 112.947 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 m -92.14 -42.67 9.78 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.365 1.066 . . . . 0.0 110.33 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.0 m -56.0 -46.14 78.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.514 1.526 . . . . 0.0 113.139 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.5 tt -58.36 -19.41 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 123.941 0.896 . . . . 0.0 112.869 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -110.82 6.44 21.37 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.878 2.071 . . . . 0.0 112.958 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.63 40.71 85.69 Favored Glycine 0 N--CA 1.468 0.816 0 C-N-CA 124.781 1.181 . . . . 0.0 114.632 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -136.99 153.02 50.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.043 1.337 . . . . 0.0 112.607 -176.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.89 138.24 37.52 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 124.236 1.014 . . . . 0.0 109.751 173.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -63.96 -15.3 48.34 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.142 2.561 . . . . 0.0 116.278 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -136.48 -42.99 0.61 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 117.155 2.279 . . . . 0.0 117.155 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 p -82.26 -5.92 58.87 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 121.33 1.877 . . . . 0.0 112.431 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.3 mmt 58.14 16.71 4.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.455 2.702 . . . . 0.0 115.625 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.9 m -61.12 145.01 52.48 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.504 -0.747 . . . . 0.0 109.022 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.7 mt -113.4 147.34 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.516 1.126 . . . . 0.0 111.245 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.9 p -136.35 -178.0 4.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.362 2.265 . . . . 0.0 111.936 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.94 2.39 6.98 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.182 1.393 . . . . 0.0 114.157 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 64.09 15.26 9.15 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.106 1.762 . . . . 0.0 114.248 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.7 p -103.08 155.82 18.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.665 1.586 . . . . 0.0 110.326 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.77 -43.63 85.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.358 -0.839 . . . . 0.0 112.032 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.0 m -59.26 -38.03 79.09 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.05 0.94 . . . . 0.0 112.646 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.15 -35.93 35.91 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.488 0.715 . . . . 0.0 112.272 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.6 mt -74.79 -43.06 56.74 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.645 -0.659 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -61.28 -38.02 85.26 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.234 0.925 . . . . 0.0 111.203 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.45 78.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.162 0.585 . . . . 0.0 111.655 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -72.59 -54.46 9.06 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.464 0.706 . . . . 0.0 111.729 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -63.49 -19.64 64.93 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 t -61.72 -24.53 66.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.729 0.812 . . . . 0.0 112.205 172.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.0 pt -118.8 -3.54 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 125.587 1.555 . . . . 0.0 114.564 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.8 t -111.62 135.78 51.74 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.398 1.479 . . . . 0.0 112.778 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -132.95 0.79 3.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.948 1.699 . . . . 0.0 113.592 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.4 mt -69.1 -11.75 61.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.445 1.098 . . . . 0.0 112.96 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.5 p -49.36 -10.96 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 129.34 3.056 . . . . 0.0 117.489 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -157.63 34.22 0.54 Allowed Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.745 1.64 . . . . 0.0 112.255 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.701 1.6 . . . . 0.0 112.221 -178.781 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 40.0 tpp . . . . . 0 CA--C 1.547 0.847 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.7 t -83.49 131.1 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.091 1.356 . . . . 0.0 112.41 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.4 t -64.83 146.86 54.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.957 1.703 . . . . 0.0 113.518 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.82 -17.92 63.42 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.323 1.449 . . . . 0.0 114.567 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.69 -63.95 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.061 1.344 . . . . 0.0 113.423 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 p -78.33 -3.44 43.03 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 44.91 36.35 1.87 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.407 1.883 . . . . 0.0 113.843 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -117.5 158.42 24.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.831 2.452 . . . . 0.0 109.619 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.88 166.5 23.54 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.308 -0.87 . . . . 0.0 113.137 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.7 t -130.06 167.3 18.52 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.35 1.86 . . . . 0.0 110.102 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -64.14 -37.36 87.16 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.159 -0.963 . . . . 0.0 112.691 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -143.31 158.83 43.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.901 1.28 . . . . 0.0 111.514 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.41 -11.36 60.76 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -94.71 -41.72 9.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.928 1.691 . . . . 0.0 110.725 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.54 -27.19 69.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.296 1.038 . . . . 0.0 110.72 173.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.05 -34.95 61.4 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.911 1.685 . . . . 0.0 113.316 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.99 -35.52 78.47 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.515 -0.741 . . . . 0.0 111.695 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 m -72.58 -34.64 67.57 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.382 173.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -58.94 -60.34 4.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.899 1.68 . . . . 0.0 110.278 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -57.21 -37.92 72.95 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.94 -19.93 65.02 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -93.45 -42.95 8.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.654 0.781 . . . . 0.0 109.909 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.1 m -53.9 -45.56 71.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.925 1.29 . . . . 0.0 112.988 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.2 tp -57.7 -19.54 12.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.961 0.904 . . . . 0.0 112.741 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -111.41 7.12 20.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.223 2.209 . . . . 0.0 113.065 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.92 26.91 73.11 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.454 1.026 . . . . 0.0 114.536 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -116.91 152.21 35.0 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.547 1.939 . . . . 0.0 113.298 -175.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.64 133.63 33.95 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 124.485 1.114 . . . . 0.0 109.178 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -64.19 -11.08 26.01 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.765 2.977 . . . . 0.0 117.093 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -135.02 -45.69 0.72 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -177.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 9.9 p -83.4 -4.29 58.35 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 120.659 1.572 . . . . 0.0 112.566 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 87.0 mmm 57.72 17.05 3.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.363 2.665 . . . . 0.0 115.836 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 55.2 m -60.4 142.53 54.85 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.356 -0.84 . . . . 0.0 109.927 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.52 137.5 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.938 1.295 . . . . 0.0 110.604 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.4 t -155.03 -170.94 3.65 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.29 2.236 . . . . 0.0 109.455 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.82 148.85 50.65 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.224 -1.547 . . . . 0.0 110.994 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.4 2.05 10.32 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.6 p -71.82 149.97 44.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.411 1.085 . . . . 0.0 111.295 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -61.59 -33.83 74.56 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.086 -1.009 . . . . 0.0 111.812 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 m -62.73 -42.52 99.7 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.279 1.032 . . . . 0.0 112.663 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.34 58.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.358 0.663 . . . . 0.0 111.695 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.09 -43.98 85.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.622 0.769 . . . . 0.0 111.939 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -61.18 -38.95 88.33 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.449 1.022 . . . . 0.0 111.45 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.96 77.94 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 118.755 0.707 . . . . 0.0 111.464 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.9 -53.88 11.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.533 0.733 . . . . 0.0 111.314 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -63.81 -19.89 65.37 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -65.52 -20.55 66.39 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.443 -0.786 . . . . 0.0 112.378 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.3 pt -121.19 -7.81 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.718 1.607 . . . . 0.0 114.084 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.1 t -105.95 130.53 53.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.26 1.424 . . . . 0.0 112.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.78 11.51 4.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.336 1.854 . . . . 0.0 112.366 176.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.31 -7.3 53.58 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.849 1.26 . . . . 0.0 111.284 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.5 p -54.86 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.16 1 C-N-CA 132.195 4.198 . . . . 0.0 117.914 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.07 17.47 0.1 OUTLIER Glycine 0 CA--C 1.539 1.581 0 C-N-CA 126.875 2.178 . . . . 0.0 113.566 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.501 1.52 . . . . 0.0 112.644 -178.059 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 ttt . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.2 t -120.51 132.18 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.74 1.616 . . . . 0.0 111.3 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.16 139.82 58.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.564 1.146 . . . . 0.0 112.433 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.81 -10.74 60.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.331 1.452 . . . . 0.0 114.73 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.55 -46.02 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.921 1.288 . . . . 0.0 113.412 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.1 p -104.2 0.37 29.4 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.3 m80 44.18 36.31 1.48 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.475 1.91 . . . . 0.0 114.724 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -117.11 162.12 18.34 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.855 2.062 . . . . 0.0 110.535 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -74.6 169.08 18.52 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.991 0.916 . . . . 0.0 112.888 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.4 t -130.55 159.95 35.61 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.96 2.104 . . . . 0.0 107.97 173.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.6 -31.05 71.81 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.893 -1.129 . . . . 0.0 113.052 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -140.68 158.69 43.61 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.91 1.284 . . . . 0.0 111.271 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.72 -12.44 61.32 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.89 -45.53 9.17 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.614 1.566 . . . . 0.0 111.125 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -68.2 -16.03 63.81 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.318 0.647 . . . . 0.0 112.174 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.55 -33.41 63.83 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.319 1.448 . . . . 0.0 112.034 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.34 -33.0 74.33 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.806 0.842 . . . . 0.0 111.73 176.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.1 m -77.68 -33.39 53.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.146 0.978 . . . . 0.0 110.474 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -57.51 -58.51 7.98 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.554 1.542 . . . . 0.0 109.693 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.5 ptp85 -55.54 -40.36 71.75 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -69.41 -24.37 63.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.959 0.904 . . . . 0.0 113.002 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.9 m -85.38 -46.47 10.92 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.321 0.649 . . . . 0.0 109.513 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m -56.14 -47.02 78.99 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.528 1.531 . . . . 0.0 113.361 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.6 tp -58.26 -19.43 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 123.317 0.647 . . . . 0.0 112.424 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -109.89 6.84 23.63 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.189 2.196 . . . . 0.0 113.194 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.22 30.02 65.66 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.602 1.096 . . . . 0.0 115.277 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -127.14 159.69 33.46 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.003 1.721 . . . . 0.0 112.567 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.1 t -93.57 139.42 22.83 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.374 1.47 . . . . 0.0 110.5 173.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -64.96 -12.74 35.99 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.257 2.638 . . . . 0.0 115.937 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -131.11 -51.95 1.03 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.5 p -79.82 -12.21 59.78 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.569 1.531 . . . . 0.0 112.251 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.6 mtt 56.26 18.56 3.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.098 2.559 . . . . 0.0 115.472 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 51.9 m -59.78 134.82 57.38 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.561 -0.712 . . . . 0.0 109.448 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.0 mm -98.63 139.37 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.245 1.018 . . . . 0.0 110.981 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.5 t -153.69 -177.83 6.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 127.298 2.239 . . . . 0.0 109.189 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -67.27 146.31 54.28 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.069 -1.645 . . . . 0.0 110.393 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.56 3.75 3.67 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.9 p -75.93 149.36 37.72 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.66 1.184 . . . . 0.0 111.537 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.11 -43.87 87.38 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.286 -0.884 . . . . 0.0 112.412 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.6 m -60.14 -39.13 85.25 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.914 0.886 . . . . 0.0 112.703 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.52 -37.01 57.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.27 0.628 . . . . 0.0 111.849 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 44.6 mt -70.51 -40.89 73.26 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.692 -0.63 . . . . 0.0 111.408 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.68 -37.79 85.41 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.301 -0.874 . . . . 0.0 111.148 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.19 -35.33 76.87 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.7 0.682 . . . . 0.0 111.66 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -72.56 -54.59 8.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.533 0.733 . . . . 0.0 111.325 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -63.71 -19.93 65.33 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.8 m -63.26 -20.11 65.16 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.446 -0.784 . . . . 0.0 112.458 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 pt -121.34 -6.33 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.637 1.575 . . . . 0.0 114.069 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 23.5 t -109.48 128.54 55.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.143 1.377 . . . . 0.0 113.423 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -131.98 11.9 4.71 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.107 1.763 . . . . 0.0 112.526 174.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.77 -11.44 60.95 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.742 1.217 . . . . 0.0 111.551 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 53.4 p -52.7 17.09 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 1 C-N-CA 132.779 4.432 . . . . 0.0 118.274 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.19 26.71 0.07 OUTLIER Glycine 0 CA--C 1.534 1.269 0 C-N-CA 127.229 2.347 . . . . 0.0 112.557 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.185 1.394 . . . . 0.0 112.76 -175.07 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.2 ttp . . . . . 0 CA--C 1.551 0.99 0 CA-C-O 122.004 0.906 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -114.88 136.15 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.93 2.092 . . . . 0.0 111.281 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.3 142.93 54.0 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.273 1.429 . . . . 0.0 113.71 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -72.17 -11.89 60.94 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.801 1.24 . . . . 0.0 114.127 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.4 t -114.97 -63.23 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 125.194 1.398 . . . . 0.0 113.122 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.0 p -81.57 -3.56 53.61 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 46.0 35.51 2.49 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.152 1.781 . . . . 0.0 113.918 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -111.66 150.13 30.58 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.771 2.028 . . . . 0.0 109.757 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -75.22 139.2 42.44 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.325 -0.859 . . . . 0.0 111.302 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.3 t -92.38 173.64 7.7 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.177 0.991 . . . . 0.0 111.056 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.76 -36.39 78.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.654 -1.279 . . . . 0.0 112.061 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -145.54 165.88 27.35 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.444 1.498 . . . . 0.0 112.009 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.41 -15.94 61.34 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -89.49 -43.99 10.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.234 1.414 . . . . 0.0 110.726 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.57 -23.55 66.87 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.393 1.077 . . . . 0.0 111.424 176.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.7 tp -53.09 -35.0 59.11 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.396 1.879 . . . . 0.0 112.889 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.09 -46.55 77.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.153 0.981 . . . . 0.0 110.969 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -64.77 -36.84 85.61 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.474 -0.766 . . . . 0.0 110.894 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -58.54 -60.4 3.87 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.438 1.495 . . . . 0.0 110.359 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -58.57 -39.2 79.64 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -69.43 -19.73 63.78 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.5 m -91.7 -43.09 9.79 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.491 -0.756 . . . . 0.0 110.044 174.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 67.3 m -54.83 -45.7 74.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.162 1.385 . . . . 0.0 113.134 176.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.6 tp -57.63 -19.49 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 123.891 0.877 . . . . 0.0 112.579 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -111.6 7.43 20.53 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.254 2.222 . . . . 0.0 113.145 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.82 27.71 71.9 Favored Glycine 0 CA--C 1.539 1.546 0 O-C-N 120.985 -1.072 . . . . 0.0 114.829 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -118.1 152.55 35.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.332 1.853 . . . . 0.0 113.106 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.6 t -89.74 133.22 34.6 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 124.427 1.091 . . . . 0.0 109.26 170.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -64.62 -18.79 63.88 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.352 2.701 . . . . 0.0 116.894 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -134.5 -12.68 2.35 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 117.662 2.468 . . . . 0.0 117.662 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.85 -2.68 14.3 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 120.565 1.53 . . . . 0.0 111.934 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 55.83 18.19 2.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.995 2.518 . . . . 0.0 115.677 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.5 m -61.32 138.98 58.25 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.34 -0.85 . . . . 0.0 109.271 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.61 134.86 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.686 1.195 . . . . 0.0 110.408 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.3 t -154.53 -169.04 3.1 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.369 2.268 . . . . 0.0 109.382 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -69.76 152.64 44.38 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.012 -1.68 . . . . 0.0 111.746 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.7 1.45 17.08 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.098 0.959 . . . . 0.0 113.505 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.9 p -72.4 147.92 45.73 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.61 1.164 . . . . 0.0 111.335 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -62.19 -29.95 70.73 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.179 -0.95 . . . . 0.0 112.267 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.1 m -66.26 -42.36 88.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.075 0.95 . . . . 0.0 112.123 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.79 -42.32 58.34 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.512 0.725 . . . . 0.0 111.626 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.02 -46.12 79.03 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.625 0.77 . . . . 0.0 112.185 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -61.67 -37.75 85.22 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.577 1.081 . . . . 0.0 111.733 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.66 80.95 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.644 0.656 . . . . 0.0 111.319 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -70.23 -53.04 18.71 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.391 0.677 . . . . 0.0 111.166 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -64.07 -20.07 65.68 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -64.94 -20.23 66.36 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.485 -0.759 . . . . 0.0 112.307 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.7 pt -122.52 -3.98 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.824 1.65 . . . . 0.0 114.082 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.2 t -112.39 130.67 55.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.556 1.542 . . . . 0.0 112.795 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -131.24 8.0 4.65 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.15 1.78 . . . . 0.0 112.756 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.89 -15.18 63.5 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.677 0.791 . . . . 0.0 110.885 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.2 p -49.2 -2.51 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 131.009 3.724 . . . . 0.0 117.756 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -151.17 21.77 0.97 Allowed Glycine 0 CA--C 1.538 1.503 0 C-N-CA 126.03 1.776 . . . . 0.0 113.622 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 125.128 1.371 . . . . 0.0 114.536 -179.49 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 ttt . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.6 t -86.53 128.54 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.747 1.219 . . . . 0.0 110.498 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.1 t -57.85 139.74 53.45 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.141 1.377 . . . . 0.0 112.818 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -66.39 -11.51 51.91 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.6 t -118.52 -69.44 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 125.098 1.359 . . . . 0.0 112.532 -177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.7 p -72.58 -3.19 23.21 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.4 m80 45.25 38.97 3.79 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.435 1.894 . . . . 0.0 113.848 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -117.75 150.14 39.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.43 2.292 . . . . 0.0 109.534 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -76.59 133.15 39.75 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.354 -0.841 . . . . 0.0 110.229 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.3 p -74.49 173.95 9.64 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.84 0.856 . . . . 0.0 112.207 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -71.02 -41.85 70.32 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.887 -1.133 . . . . 0.0 110.404 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -144.3 152.22 40.48 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.774 1.63 . . . . 0.0 110.966 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.15 -12.4 19.57 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -82.33 -44.06 16.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.739 1.616 . . . . 0.0 111.072 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -73.46 -16.8 61.3 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.4 tp -48.1 -41.21 25.73 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.534 1.934 . . . . 0.0 114.514 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -70.36 -41.0 73.7 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.346 -0.846 . . . . 0.0 111.778 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 t -62.57 -37.59 86.8 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.71 -0.619 . . . . 0.0 110.454 174.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -57.72 -60.77 3.18 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.494 1.518 . . . . 0.0 110.301 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -59.82 -38.88 83.26 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -65.89 -19.84 66.02 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 m -95.04 -43.32 8.19 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.08 0.952 . . . . 0.0 109.926 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.8 m -55.27 -44.08 75.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.567 1.547 . . . . 0.0 112.941 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.6 -19.51 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 124.046 0.938 . . . . 0.0 112.666 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -110.72 7.85 22.33 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.05 2.14 . . . . 0.0 112.528 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.57 22.13 77.83 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.197 1.38 . . . . 0.0 115.213 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -118.46 154.4 32.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.804 1.241 . . . . 0.0 113.847 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.1 t -80.57 137.94 51.29 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.871 1.268 . . . . 0.0 110.518 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.53 -14.39 44.59 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.218 2.612 . . . . 0.0 116.273 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -134.25 -46.35 0.77 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 p -81.08 -5.13 57.28 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.099 1.772 . . . . 0.0 112.116 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.1 mmt 60.22 11.4 2.78 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.698 2.799 . . . . 0.0 115.482 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.3 m -54.45 139.44 37.41 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.933 1.293 . . . . 0.0 110.422 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.8 mt -118.19 138.65 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.431 1.092 . . . . 0.0 110.701 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 t -151.42 -170.61 3.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.993 2.517 . . . . 0.0 108.805 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.41 149.1 50.71 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 119.98 -1.7 . . . . 0.0 110.947 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.95 4.41 5.42 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.2 p -72.99 150.32 42.55 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.694 1.198 . . . . 0.0 111.22 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.05 -35.83 77.98 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.176 -0.952 . . . . 0.0 112.272 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -62.76 -42.18 99.56 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.365 1.066 . . . . 0.0 112.89 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.53 -42.41 67.95 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.307 0.643 . . . . 0.0 111.25 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.59 -37.25 79.67 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.419 0.688 . . . . 0.0 111.926 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -62.84 -41.01 99.18 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.652 -1.28 . . . . 0.0 110.364 174.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.01 89.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.41 0.55 . . . . 0.0 110.995 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -63.86 -57.37 10.06 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.894 0.878 . . . . 0.0 111.231 174.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -65.8 -19.77 66.01 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -64.86 -19.81 66.08 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.537 -0.727 . . . . 0.0 112.367 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.9 pt -123.1 -1.55 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.679 1.592 . . . . 0.0 114.208 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.7 t -118.06 131.36 56.46 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.687 1.595 . . . . 0.0 112.859 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -130.91 1.26 4.31 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.852 1.661 . . . . 0.0 113.72 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.7 mt -65.31 -14.76 61.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.972 0.909 . . . . 0.0 111.88 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.3 p -49.41 -14.52 0.1 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.495 3.118 . . . . 0.0 116.212 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.47 31.54 0.34 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.159 1.837 . . . . 0.0 112.246 176.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.635 1.574 . . . . 0.0 112.431 -176.773 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.7 ttt . . . . . 0 CA--C 1.549 0.925 0 CA-C-O 121.037 0.446 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.6 t -120.15 132.95 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.735 1.614 . . . . 0.0 111.486 -175.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.1 t -63.54 142.37 58.42 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.495 1.118 . . . . 0.0 113.213 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -73.12 -12.13 60.79 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.0 t -117.66 -48.82 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.719 1.208 . . . . 0.0 113.951 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.0 p -104.04 0.72 30.17 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 47.82 27.88 1.22 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.568 1.947 . . . . 0.0 114.47 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -83.36 143.33 30.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.69 1.196 . . . . 0.0 111.081 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -86.46 85.86 7.32 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.488 1.515 . . . . 0.0 109.851 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.4 t -51.75 152.43 2.9 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.372 1.069 . . . . 0.0 113.241 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -53.41 -31.38 44.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.862 1.265 . . . . 0.0 114.014 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.32 157.25 45.46 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.011 1.324 . . . . 0.0 110.574 175.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.29 -11.78 61.1 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -99.29 -40.78 7.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.024 1.33 . . . . 0.0 112.03 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.32 -23.05 67.24 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.899 0.772 . . . . 0.0 110.988 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.0 tp -53.79 -33.28 55.51 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.436 1.895 . . . . 0.0 112.308 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -67.86 -32.24 72.63 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.272 1.029 . . . . 0.0 111.815 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 m -80.31 -36.56 34.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.128 0.971 . . . . 0.0 110.46 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -55.02 -60.26 3.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.234 1.813 . . . . 0.0 110.583 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -54.45 -39.44 67.44 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -70.55 -19.92 62.84 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.169 0.987 . . . . 0.0 113.08 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -92.27 -42.46 9.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.215 1.006 . . . . 0.0 109.996 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.0 m -56.76 -42.96 80.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.585 1.554 . . . . 0.0 113.669 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.5 tt -60.2 -19.37 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.417 0.687 . . . . 0.0 112.409 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -107.45 6.89 28.62 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.065 2.146 . . . . 0.0 112.234 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.37 21.6 76.02 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.655 1.598 . . . . 0.0 115.17 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -119.92 158.51 26.54 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.235 1.414 . . . . 0.0 113.809 -174.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.5 t -85.89 139.02 34.95 Favored Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 125.067 1.347 . . . . 0.0 111.179 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -64.85 -14.34 44.44 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.442 2.761 . . . . 0.0 116.136 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -134.13 -47.53 0.78 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -78.05 -13.24 59.94 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.892 1.678 . . . . 0.0 111.903 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.2 mtt 58.12 15.55 3.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.234 2.614 . . . . 0.0 116.163 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 49.0 m -59.9 145.36 46.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.808 0.843 . . . . 0.0 109.116 172.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.1 mt -119.36 141.7 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.192 0.997 . . . . 0.0 111.44 -177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.5 t -150.52 -170.72 3.73 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 128.297 2.639 . . . . 0.0 109.011 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.04 146.58 54.18 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 119.957 -1.714 . . . . 0.0 111.275 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.19 43.53 0.37 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.853 1.261 . . . . 0.0 113.194 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.4 p -128.15 154.44 45.76 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.006 1.722 . . . . 0.0 112.142 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -57.28 -44.94 84.45 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.1 m -58.01 -38.42 76.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.918 0.887 . . . . 0.0 112.394 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.81 -41.75 22.81 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.276 1.031 . . . . 0.0 113.118 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.4 mt -76.61 -43.05 40.13 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -61.55 -34.81 76.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.336 0.971 . . . . 0.0 111.293 177.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.03 85.16 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.388 0.675 . . . . 0.0 111.698 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.38 -52.73 20.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.508 0.723 . . . . 0.0 110.809 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -64.03 -19.64 65.35 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.0 m -64.42 -20.06 65.92 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.355 -0.841 . . . . 0.0 112.326 173.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.9 pt -122.09 -5.09 8.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 125.739 1.616 . . . . 0.0 114.141 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 14.2 t -111.76 128.76 56.19 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.205 1.402 . . . . 0.0 112.819 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -129.96 7.66 5.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.982 1.713 . . . . 0.0 112.794 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.04 -20.6 64.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.44 0.696 . . . . 0.0 110.241 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.6 p -50.01 -18.29 0.52 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 129.367 3.067 . . . . 0.0 115.157 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.92 23.19 1.78 Allowed Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.767 1.651 . . . . 0.0 113.782 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.377 1.871 . . . . 0.0 112.694 179.037 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.9 ttt . . . . . 0 CA--C 1.546 0.809 0 CA-C-O 121.463 0.649 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.8 t -124.12 128.79 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.006 1.722 . . . . 0.0 110.915 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -61.58 147.45 45.56 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.917 1.287 . . . . 0.0 113.222 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.54 -13.21 61.72 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.018 1.327 . . . . 0.0 114.244 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.78 -70.27 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.344 1.458 . . . . 0.0 112.651 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 p -75.25 -1.95 25.8 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.5 m80 42.98 38.79 1.53 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.59 1.956 . . . . 0.0 113.816 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -119.23 166.09 13.42 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.711 2.404 . . . . 0.0 110.131 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.42 171.35 15.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.444 1.098 . . . . 0.0 112.54 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.5 t -133.3 167.49 20.3 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.113 2.165 . . . . 0.0 108.529 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -57.2 -34.41 68.49 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.869 -1.144 . . . . 0.0 112.257 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -141.3 159.42 42.25 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.314 1.445 . . . . 0.0 111.12 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.85 -11.58 60.87 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 121.488 -0.757 . . . . 0.0 112.936 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -88.01 -46.18 9.56 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.066 1.346 . . . . 0.0 111.003 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -67.29 -16.77 64.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.324 0.65 . . . . 0.0 112.071 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.23 -31.28 63.38 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.748 1.619 . . . . 0.0 112.47 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -66.32 -35.02 79.31 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.308 -0.87 . . . . 0.0 111.594 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 m -76.84 -30.39 56.31 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.145 0.978 . . . . 0.0 110.918 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -59.92 -59.88 4.72 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.802 1.641 . . . . 0.0 110.749 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 45.6 ptt85 -54.09 -42.53 69.48 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -70.54 -19.59 62.88 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 m -86.51 -44.23 12.12 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.791 0.836 . . . . 0.0 108.988 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 77.8 m -55.34 -46.28 76.4 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.926 1.69 . . . . 0.0 113.568 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.8 tp -59.13 -19.56 16.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.123 0.569 . . . . 0.0 112.482 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -107.38 6.41 28.3 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.03 2.132 . . . . 0.0 112.75 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.85 17.24 78.27 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.522 1.534 . . . . 0.0 115.725 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -116.05 153.39 31.77 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.851 1.326 . . . . 0.0 113.201 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.24 139.04 41.92 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.045 0.938 . . . . 0.0 110.384 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -62.82 -16.66 55.02 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.389 2.726 . . . . 0.0 116.252 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -135.58 -37.33 0.76 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -176.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.6 p -85.26 -6.13 59.28 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 121.821 2.1 . . . . 0.0 112.229 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.5 mmt 60.55 4.23 0.7 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 129.048 2.939 . . . . 0.0 116.708 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.7 m -57.66 144.59 37.16 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.298 1.039 . . . . 0.0 110.231 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.2 mt -120.12 136.67 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.634 1.174 . . . . 0.0 110.722 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.5 p -143.1 -173.54 3.94 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.621 2.768 . . . . 0.0 108.781 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.25 147.6 53.09 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 119.919 -1.738 . . . . 0.0 110.438 176.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.41 4.55 3.67 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.042 1.126 . . . . 0.0 114.042 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.5 p -75.41 150.32 38.36 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.918 1.287 . . . . 0.0 111.952 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.07 -41.87 89.01 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.379 -0.825 . . . . 0.0 112.08 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -59.19 -38.14 79.11 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.229 1.012 . . . . 0.0 112.838 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.48 -39.81 31.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.252 0.621 . . . . 0.0 111.685 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 75.0 mt -69.9 -42.96 72.67 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -61.46 -37.91 85.29 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.166 -0.959 . . . . 0.0 111.469 176.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.77 81.35 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.551 0.614 . . . . 0.0 111.461 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -70.86 -54.8 10.17 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.669 0.787 . . . . 0.0 111.33 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -64.24 -19.65 65.52 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.4 m -64.26 -25.48 68.07 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.268 -0.895 . . . . 0.0 111.852 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.7 pt -114.71 -13.31 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.405 1.482 . . . . 0.0 113.652 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 16.3 t -102.66 126.17 49.65 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.97 1.308 . . . . 0.0 112.038 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -131.14 11.36 5.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.316 1.846 . . . . 0.0 111.744 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.9 mt -76.25 -4.65 43.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.552 1.541 . . . . 0.0 112.069 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.8 p -54.03 10.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 131.17 3.788 . . . . 0.0 117.841 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.92 17.75 0.19 Allowed Glycine 0 CA--C 1.541 1.691 0 C-N-CA 126.511 2.005 . . . . 0.0 113.67 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.839 1.656 . . . . 0.0 115.382 -178.268 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 30.9 ttm . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.9 t -107.57 131.34 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.241 1.416 . . . . 0.0 110.866 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.6 t -62.78 144.36 56.58 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.868 1.267 . . . . 0.0 114.005 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.11 -19.72 65.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.474 1.91 . . . . 0.0 114.02 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -115.13 -72.55 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 125.317 1.447 . . . . 0.0 112.373 -175.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -68.23 -6.88 26.04 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.1 m80 47.66 32.8 2.69 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.367 1.867 . . . . 0.0 113.812 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -108.26 151.69 25.61 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.759 2.023 . . . . 0.0 109.771 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -75.64 138.3 41.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.469 0.708 . . . . 0.0 111.617 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.6 t -92.21 169.19 10.8 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.671 1.188 . . . . 0.0 111.378 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.35 -41.79 97.62 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.866 -1.147 . . . . 0.0 111.26 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -144.5 168.21 20.68 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.01 1.724 . . . . 0.0 111.833 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.17 -13.35 61.15 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.448 -0.782 . . . . 0.0 112.954 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -89.7 -44.87 9.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.144 1.377 . . . . 0.0 111.003 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.32 -23.06 67.16 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.11 0.964 . . . . 0.0 111.572 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.6 tp -53.51 -34.81 59.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.186 1.794 . . . . 0.0 112.832 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -66.37 -31.62 72.51 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.744 0.818 . . . . 0.0 112.029 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -80.12 -38.17 32.09 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.913 0.885 . . . . 0.0 110.448 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -56.44 -58.28 8.68 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.559 1.543 . . . . 0.0 110.871 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.75 -40.24 69.13 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -72.73 -24.95 61.04 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.141 0.976 . . . . 0.0 113.178 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 m -85.16 -43.59 13.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.59 0.756 . . . . 0.0 110.497 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.0 -44.23 87.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.401 1.481 . . . . 0.0 114.03 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -21.48 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 121.478 -0.764 . . . . 0.0 112.504 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -103.67 6.57 37.11 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.828 2.051 . . . . 0.0 113.055 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.72 21.46 77.92 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.256 1.408 . . . . 0.0 115.612 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -118.58 154.31 32.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.825 1.313 . . . . 0.0 113.943 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 39.0 t -80.0 136.71 53.93 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.95 1.3 . . . . 0.0 110.543 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.21 -13.08 38.3 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.111 2.541 . . . . 0.0 116.343 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -135.21 -45.09 0.7 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.5 p -81.37 -5.98 58.43 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 121.186 1.812 . . . . 0.0 112.011 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.5 mmt 61.12 10.57 2.98 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.79 2.836 . . . . 0.0 115.605 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.8 m -55.91 141.55 38.88 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.809 1.244 . . . . 0.0 110.507 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.0 mt -120.29 140.24 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.575 1.15 . . . . 0.0 110.878 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.0 t -150.82 -169.71 3.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.857 2.463 . . . . 0.0 108.91 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.13 149.49 50.46 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.057 -1.652 . . . . 0.0 110.976 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.95 3.24 7.06 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.3 p -71.26 150.73 44.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.14 0.976 . . . . 0.0 110.901 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.36 -34.34 76.49 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.151 -0.968 . . . . 0.0 112.173 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.4 m -64.9 -42.78 94.48 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.096 0.958 . . . . 0.0 112.786 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.96 72.74 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.099 0.56 . . . . 0.0 111.294 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.6 mt -67.48 -38.45 84.41 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.331 0.652 . . . . 0.0 111.447 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -63.01 -39.36 94.54 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.704 -1.248 . . . . 0.0 110.595 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.59 93.06 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.776 0.717 . . . . 0.0 110.866 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -62.09 -56.69 16.37 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.852 0.861 . . . . 0.0 110.989 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -66.07 -19.74 65.94 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.893 -1.129 . . . . 0.0 113.968 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.3 m -65.77 -19.98 66.09 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.375 -0.828 . . . . 0.0 112.208 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.4 pt -121.51 -0.91 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.871 1.668 . . . . 0.0 114.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.1 t -119.81 129.38 54.41 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.865 1.666 . . . . 0.0 112.724 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.52 9.09 4.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.064 1.746 . . . . 0.0 112.794 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.11 -5.97 53.24 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.278 1.431 . . . . 0.0 112.349 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.0 p -53.55 1.6 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 130.49 3.516 . . . . 0.0 117.598 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.21 29.82 0.23 Allowed Glycine 0 CA--C 1.537 1.411 0 C-N-CA 126.928 2.204 . . . . 0.0 112.091 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.325 1.85 . . . . 0.0 114.8 -178.684 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.091 0 CA-C-O 121.568 0.699 . . . . 0.0 112.071 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.29 139.08 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.688 1.995 . . . . 0.0 109.47 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.3 t -60.14 144.65 49.32 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.551 1.14 . . . . 0.0 113.533 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -75.38 -13.47 60.4 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.723 1.209 . . . . 0.0 113.928 177.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.9 t -114.24 -61.21 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.221 1.408 . . . . 0.0 113.237 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 p -86.03 -0.95 56.82 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 44.71 38.31 2.72 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.49 1.916 . . . . 0.0 113.544 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -114.21 158.74 20.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.861 2.064 . . . . 0.0 110.987 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -75.49 160.07 30.6 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.83 1.252 . . . . 0.0 112.155 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.9 t -132.97 164.59 26.63 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.502 1.921 . . . . 0.0 109.481 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.24 -36.17 79.24 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.756 -1.215 . . . . 0.0 113.501 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -141.46 161.46 37.85 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.384 1.074 . . . . 0.0 112.163 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.23 -16.63 63.07 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.633 0.773 . . . . 0.0 113.031 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -85.84 -46.41 10.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.728 1.211 . . . . 0.0 111.081 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -66.12 -19.0 65.71 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.242 0.617 . . . . 0.0 112.287 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 tp -56.98 -29.71 63.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.069 1.748 . . . . 0.0 112.928 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -71.18 -44.25 65.83 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.714 0.805 . . . . 0.0 110.32 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.7 m -63.47 -35.65 81.16 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.573 -0.704 . . . . 0.0 110.741 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -59.13 -60.68 3.47 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.362 1.465 . . . . 0.0 110.268 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -59.51 -37.69 78.97 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -65.42 -19.61 66.01 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.76 0.824 . . . . 0.0 113.068 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 m -96.23 -42.43 8.19 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.349 1.06 . . . . 0.0 110.088 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.7 m -55.95 -41.48 74.73 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.704 1.602 . . . . 0.0 113.38 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.8 tp -58.43 -19.51 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.839 0.856 . . . . 0.0 112.5 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -111.13 8.4 21.71 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.044 2.138 . . . . 0.0 112.507 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.19 25.74 75.19 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.22 1.391 . . . . 0.0 114.81 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -121.62 152.71 39.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.209 1.404 . . . . 0.0 113.601 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -84.13 137.61 40.01 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 124.169 0.988 . . . . 0.0 110.333 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -61.66 -18.22 58.97 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.471 2.781 . . . . 0.0 116.527 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -136.19 -38.35 0.69 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 118.016 2.598 . . . . 0.0 118.016 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.2 p -81.88 -6.25 58.94 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 121.497 1.953 . . . . 0.0 112.262 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.4 mmt 57.68 18.35 4.69 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.386 2.674 . . . . 0.0 115.561 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.8 m -63.88 143.68 57.67 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 173.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.6 mt -124.89 138.47 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.658 1.183 . . . . 0.0 110.41 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.9 t -152.49 -167.51 2.77 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.95 2.5 . . . . 0.0 109.119 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.13 150.3 48.53 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.057 -1.652 . . . . 0.0 111.246 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.81 3.09 8.66 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.4 p -72.42 151.37 42.64 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.622 1.169 . . . . 0.0 111.627 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -62.25 -36.21 81.34 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.145 -0.972 . . . . 0.0 112.0 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.9 m -62.87 -41.22 99.3 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.213 1.005 . . . . 0.0 112.844 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.1 -42.53 59.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.272 0.629 . . . . 0.0 111.687 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.37 -43.01 78.31 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.533 0.733 . . . . 0.0 112.611 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.43 -39.03 86.0 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.533 1.06 . . . . 0.0 111.382 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.13 79.48 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.44 0.564 . . . . 0.0 111.695 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -71.82 -53.64 12.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.538 0.735 . . . . 0.0 111.49 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -63.56 -19.8 65.11 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m -64.18 -19.94 65.67 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.623 -0.673 . . . . 0.0 112.497 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 pt -123.07 -1.22 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.644 1.577 . . . . 0.0 114.53 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 14.5 t -113.03 135.44 53.78 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.52 1.528 . . . . 0.0 112.46 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 6.11 4.0 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.918 1.687 . . . . 0.0 113.543 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.28 -9.47 58.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.758 0.823 . . . . 0.0 112.002 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 41.7 p -49.6 -18.15 0.4 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 128.864 2.866 . . . . 0.0 116.767 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.15 26.61 2.31 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.404 1.478 . . . . 0.0 113.308 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.998 1.719 . . . . 0.0 115.183 -179.082 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 ttt . . . . . 0 CA--C 1.546 0.811 0 CA-C-O 120.933 0.397 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.4 t -121.09 140.06 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.909 1.284 . . . . 0.0 112.591 -174.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.74 161.18 28.91 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.29 1.836 . . . . 0.0 113.362 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -85.06 -14.67 46.52 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.3 t -122.83 -62.08 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.268 1.027 . . . . 0.0 113.381 -174.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p -85.78 -0.46 55.31 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 44.7 30.09 0.49 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.346 2.258 . . . . 0.0 114.162 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -77.61 159.89 28.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.985 1.714 . . . . 0.0 111.323 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -108.89 90.39 3.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.712 1.605 . . . . 0.0 108.541 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.0 t -55.72 158.7 3.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.498 1.119 . . . . 0.0 112.817 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -54.41 -31.78 55.85 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.708 1.203 . . . . 0.0 113.747 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -141.36 158.08 44.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.401 1.48 . . . . 0.0 110.601 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.95 -10.77 60.16 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -90.79 -46.85 7.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.114 1.766 . . . . 0.0 110.931 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -27.37 69.0 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.731 1.213 . . . . 0.0 110.972 176.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.62 -33.45 64.01 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.018 1.727 . . . . 0.0 112.719 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.53 -33.29 75.34 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.503 -0.748 . . . . 0.0 111.514 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.4 m -78.63 -36.56 43.85 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.515 0.726 . . . . 0.0 110.169 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -54.58 -60.05 3.88 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.769 1.628 . . . . 0.0 110.663 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -58.0 -29.89 65.63 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -80.07 -23.12 41.56 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.068 0.947 . . . . 0.0 112.862 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 m -87.74 -39.2 15.14 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.11 0.964 . . . . 0.0 111.132 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.5 m -56.29 -44.95 80.32 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.34 1.456 . . . . 0.0 113.94 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -22.52 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.792 0.837 . . . . 0.0 112.021 177.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -101.38 6.4 42.6 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.488 1.915 . . . . 0.0 112.659 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.04 26.46 72.37 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.426 1.489 . . . . 0.0 114.587 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -122.51 154.7 37.51 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.287 1.435 . . . . 0.0 113.492 -174.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.0 t -83.38 137.5 42.18 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.632 1.173 . . . . 0.0 110.398 173.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.93 -14.7 44.68 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.197 2.598 . . . . 0.0 116.173 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -133.4 -45.34 0.83 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -177.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 p -82.33 -9.52 59.44 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 121.247 1.839 . . . . 0.0 111.941 176.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 56.0 mtt 57.54 23.46 9.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.717 2.407 . . . . 0.0 114.986 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.3 m -60.67 143.29 54.48 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.3 mt -121.89 138.23 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.283 1.033 . . . . 0.0 110.536 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.5 t -153.17 -170.46 3.62 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.449 2.3 . . . . 0.0 109.562 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.5 142.46 58.13 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.206 -1.559 . . . . 0.0 111.103 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.59 46.17 0.53 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.703 1.201 . . . . 0.0 112.775 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 39.6 p -125.1 152.09 44.85 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.01 1.724 . . . . 0.0 111.736 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -57.22 -42.54 81.55 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.55 0.74 . . . . 0.0 112.583 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 m -58.5 -40.1 81.88 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.819 0.848 . . . . 0.0 112.751 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.31 -38.7 30.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.963 0.905 . . . . 0.0 112.938 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.1 mt -76.65 -39.46 52.2 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.512 -0.742 . . . . 0.0 112.489 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -62.28 -36.94 83.65 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.888 1.222 . . . . 0.0 110.366 174.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.88 99.26 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.336 0.517 . . . . 0.0 110.894 174.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -60.42 -56.52 20.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.792 0.837 . . . . 0.0 110.894 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -66.46 -19.77 65.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -64.95 -20.34 66.42 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.357 -0.84 . . . . 0.0 112.286 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.4 pt -121.89 -1.64 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.823 1.649 . . . . 0.0 113.93 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.7 t -119.35 122.04 40.92 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.643 1.577 . . . . 0.0 113.097 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -126.33 5.52 7.0 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.246 1.818 . . . . 0.0 112.385 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 99.3 mt -66.56 -13.57 61.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.462 1.105 . . . . 0.0 111.215 172.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.2 p -55.24 -11.9 0.86 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 128.943 2.897 . . . . 0.0 114.801 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.99 26.62 2.34 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 126.087 1.803 . . . . 0.0 113.253 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.192 1.397 . . . . 0.0 114.509 -179.756 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.6 ttp . . . . . 0 CA--C 1.546 0.791 0 CA-C-O 122.364 1.078 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.3 t -110.71 134.66 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 127.148 2.179 . . . . 0.0 110.919 -175.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.38 141.56 56.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.996 1.319 . . . . 0.0 113.339 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -69.83 -12.29 61.51 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.77 -73.17 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.203 1.401 . . . . 0.0 111.846 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 p -70.49 -5.19 26.95 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.2 m80 47.61 36.95 5.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.982 1.713 . . . . 0.0 113.997 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -113.83 150.72 33.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.964 2.105 . . . . 0.0 110.207 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.33 140.44 54.31 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.745 0.818 . . . . 0.0 111.197 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 t -96.59 171.89 8.26 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.836 0.855 . . . . 0.0 111.843 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -71.72 -38.79 70.46 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.796 -1.19 . . . . 0.0 112.332 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -145.51 164.63 31.02 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.135 1.374 . . . . 0.0 111.755 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.3 -14.05 62.42 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.36 -45.18 9.18 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.425 1.49 . . . . 0.0 110.848 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -67.33 -20.55 65.61 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.119 0.568 . . . . 0.0 112.193 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.9 tp -52.48 -36.72 55.63 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.26 1.824 . . . . 0.0 113.046 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.72 -46.32 72.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.291 1.036 . . . . 0.0 110.988 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 m -63.98 -34.95 79.14 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.46 -0.775 . . . . 0.0 111.155 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -60.76 -60.33 3.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.365 1.466 . . . . 0.0 110.445 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -57.95 -38.6 76.28 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -70.01 -19.75 63.31 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 m -88.14 -46.24 9.45 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.531 -0.73 . . . . 0.0 109.471 174.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.0 m -54.61 -45.82 73.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.851 1.66 . . . . 0.0 113.651 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.6 tp -58.19 -19.56 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.813 0.845 . . . . 0.0 112.559 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -110.23 5.57 21.91 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.904 2.082 . . . . 0.0 113.036 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.26 11.37 85.01 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.842 1.211 . . . . 0.0 115.576 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -106.49 159.86 15.84 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.793 1.297 . . . . 0.0 112.638 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 48.2 t -107.26 131.32 21.8 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 126.371 1.869 . . . . 0.0 110.9 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -57.74 154.61 36.44 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.467 2.111 . . . . 0.0 112.756 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 51.5 -24.8 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 120.109 3.374 . . . . 0.0 120.109 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.96 -15.48 18.29 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 121.009 1.731 . . . . 0.0 111.341 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 mpt? 59.39 11.21 2.11 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.734 2.814 . . . . 0.0 116.377 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 95.0 m -57.7 142.57 44.72 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.598 1.09 . . . . 0.0 110.466 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.0 mt -122.65 140.6 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.504 1.122 . . . . 0.0 111.287 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.0 t -150.35 -168.82 3.21 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.142 2.577 . . . . 0.0 109.034 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.19 148.78 51.34 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 119.995 -1.691 . . . . 0.0 110.975 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.01 4.42 5.47 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.7 p -75.03 145.24 42.58 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.694 1.198 . . . . 0.0 111.057 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -40.32 72.3 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.275 -0.89 . . . . 0.0 113.396 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 56.3 m -63.52 -41.44 98.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.678 1.191 . . . . 0.0 112.723 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.68 -40.76 69.38 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.125 0.57 . . . . 0.0 111.439 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.26 -46.03 78.51 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.603 0.761 . . . . 0.0 111.495 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -57.9 -40.07 79.42 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.812 0.845 . . . . 0.0 111.684 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.47 71.02 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.363 0.528 . . . . 0.0 111.976 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -77.7 -51.39 10.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.979 0.511 . . . . 0.0 111.319 175.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.55 -20.96 65.19 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -62.76 -21.33 65.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.695 0.798 . . . . 0.0 112.406 173.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.31 -1.33 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 126.152 1.781 . . . . 0.0 114.089 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.2 t -120.31 130.44 54.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.228 1.411 . . . . 0.0 113.839 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -132.89 6.69 3.98 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.221 1.808 . . . . 0.0 112.859 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.95 -18.97 64.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.076 0.951 . . . . 0.0 111.047 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.3 p -44.98 -23.37 0.14 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 129.687 3.195 . . . . 0.0 116.178 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.94 31.76 1.32 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.618 1.58 . . . . 0.0 112.916 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 125.335 1.454 . . . . 0.0 112.369 -177.483 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.6 ttt . . . . . 0 CA--C 1.549 0.922 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 63.7 t -99.94 131.43 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.011 1.324 . . . . 0.0 110.746 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.59 146.31 52.27 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.585 1.554 . . . . 0.0 113.588 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -70.8 -16.0 62.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.11 1.364 . . . . 0.0 114.66 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -112.96 -73.58 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.019 1.328 . . . . 0.0 112.153 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.5 p -70.55 -3.98 20.74 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.8 m80 45.71 39.5 5.19 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.435 1.894 . . . . 0.0 113.501 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -121.72 168.3 11.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.462 2.305 . . . . 0.0 110.796 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -86.79 167.96 13.93 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.829 1.252 . . . . 0.0 111.559 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.8 t -128.8 171.62 12.08 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.136 1.775 . . . . 0.0 110.075 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -54.98 -38.78 68.27 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.128 -0.982 . . . . 0.0 112.144 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.74 162.99 34.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.736 1.614 . . . . 0.0 110.555 175.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.48 -11.77 61.1 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -94.14 -43.64 8.38 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.5 1.52 . . . . 0.0 111.102 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.62 -20.72 65.9 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.338 0.655 . . . . 0.0 111.529 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.0 tp -54.34 -30.24 50.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.559 1.943 . . . . 0.0 112.856 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.88 -37.64 88.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.741 0.817 . . . . 0.0 111.416 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -73.86 -35.97 64.8 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.119 -0.988 . . . . 0.0 110.144 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -57.26 -60.21 3.96 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.254 1.422 . . . . 0.0 111.066 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -57.78 -37.51 73.85 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.9 -22.02 62.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.244 0.617 . . . . 0.0 112.449 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 m -84.92 -46.22 11.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.469 0.708 . . . . 0.0 109.625 174.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.0 m -51.8 -47.73 64.15 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.431 1.492 . . . . 0.0 113.946 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.9 tp -59.06 -19.31 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 124.119 0.968 . . . . 0.0 112.675 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -111.11 6.59 20.92 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 127.168 2.187 . . . . 0.0 112.843 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.11 13.7 82.49 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.77 1.176 . . . . 0.0 114.906 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -99.5 157.35 16.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.808 1.643 . . . . 0.0 112.325 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 42.7 t -104.75 133.74 20.01 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.832 1.653 . . . . 0.0 108.647 171.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -64.87 155.42 67.81 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 121.806 1.671 . . . . 0.0 111.426 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 50.73 -6.71 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 p -120.62 -14.92 8.55 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.843 1.657 . . . . 0.0 111.893 173.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 54.4 21.88 3.49 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.409 2.684 . . . . 0.0 116.144 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.8 m -63.94 140.17 58.84 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.055 -1.028 . . . . 0.0 108.905 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.9 mm -111.43 134.68 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.215 1.006 . . . . 0.0 111.163 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.2 p -145.49 -175.15 4.61 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.722 2.809 . . . . 0.0 109.044 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -69.78 145.99 51.77 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 119.975 -1.703 . . . . 0.0 111.007 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.11 40.45 0.21 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.696 1.599 . . . . 0.0 114.011 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.9 p -122.58 148.92 44.65 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.206 1.802 . . . . 0.0 110.801 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -57.4 -38.12 73.79 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.098 -1.001 . . . . 0.0 113.074 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m -61.23 -39.86 91.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.981 0.912 . . . . 0.0 112.877 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.32 -42.75 22.42 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.713 0.805 . . . . 0.0 112.38 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.23 -46.43 77.23 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.063 0.945 . . . . 0.0 112.049 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -58.96 -36.75 75.35 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.1 -1.0 . . . . 0.0 112.584 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.43 71.25 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.853 -0.529 . . . . 0.0 112.02 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -75.07 -48.03 25.91 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.8 -0.563 . . . . 0.0 111.03 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -62.8 -20.44 65.03 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.969 -1.082 . . . . 0.0 113.579 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.8 m -64.24 -19.97 65.73 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.487 0.715 . . . . 0.0 112.276 174.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.1 pt -126.27 -5.79 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 126.14 1.776 . . . . 0.0 114.101 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 19.5 t -107.39 133.48 51.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.432 1.493 . . . . 0.0 113.341 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -128.17 -2.36 5.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.082 2.153 . . . . 0.0 113.377 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.95 -7.54 53.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.04 1.336 . . . . 0.0 113.334 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.5 p -50.41 -18.04 0.57 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.37 2.268 . . . . 0.0 116.187 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.22 34.56 1.4 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.395 1.95 . . . . 0.0 112.165 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.724 2.009 . . . . 0.0 115.176 -178.753 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.8 t -91.31 129.61 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.422 1.489 . . . . 0.0 110.551 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.99 143.58 42.68 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.884 1.274 . . . . 0.0 113.7 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.32 -16.47 63.56 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.359 1.464 . . . . 0.0 114.601 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -116.09 -58.71 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.113 1.365 . . . . 0.0 113.592 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.2 p -84.23 0.35 49.18 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 41.48 40.31 1.28 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.658 1.983 . . . . 0.0 114.25 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -116.52 147.74 41.49 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.272 2.229 . . . . 0.0 109.458 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.74 129.14 38.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.376 -0.827 . . . . 0.0 110.156 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.5 t -74.44 163.54 27.65 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.35 -45.55 93.06 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.392 1.077 . . . . 0.0 111.371 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.77 165.49 28.67 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.619 1.568 . . . . 0.0 111.522 177.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.93 -18.04 64.64 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -83.67 -43.62 15.37 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.778 1.631 . . . . 0.0 111.057 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -72.44 -17.84 61.75 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.4 tp -43.03 -50.21 5.99 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.823 2.449 . . . . 0.0 115.383 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -73.98 -40.25 63.12 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.476 -0.765 . . . . 0.0 111.899 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.9 m -59.61 -32.61 70.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.305 0.642 . . . . 0.0 111.529 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -61.83 -60.24 3.95 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.985 1.314 . . . . 0.0 111.072 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -57.94 -35.38 71.03 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.83 -20.19 65.61 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.26 1.024 . . . . 0.0 113.484 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.8 m -102.2 -36.18 8.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.945 0.898 . . . . 0.0 110.863 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 79.0 m -55.51 -45.12 77.13 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.54 1.136 . . . . 0.0 112.393 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.63 -19.44 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 124.363 1.065 . . . . 0.0 112.915 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -110.17 5.96 22.34 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 127.065 2.146 . . . . 0.0 112.973 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.84 26.21 74.66 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.778 1.18 . . . . 0.0 114.738 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -120.64 146.27 46.57 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.384 1.474 . . . . 0.0 113.408 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.5 t -76.84 134.81 68.21 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-O 118.74 -0.648 . . . . 0.0 109.563 172.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.53 -12.69 36.19 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.073 2.516 . . . . 0.0 116.006 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -136.43 -43.39 0.62 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.44 -6.4 59.27 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 121.226 1.83 . . . . 0.0 112.305 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.8 mmt 59.09 18.67 6.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.394 2.678 . . . . 0.0 115.365 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 m -58.11 138.28 56.24 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.677 0.791 . . . . 0.0 109.742 174.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.6 mm -113.22 135.13 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.939 1.296 . . . . 0.0 110.723 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.7 t -156.8 -168.9 2.8 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.083 2.153 . . . . 0.0 109.339 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -69.63 153.65 43.13 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.164 -1.585 . . . . 0.0 111.661 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.67 4.61 9.1 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.948 0.899 . . . . 0.0 113.323 177.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.2 p -78.37 153.12 31.89 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.172 1.389 . . . . 0.0 112.713 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.94 -43.04 95.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.778 0.831 . . . . 0.0 112.013 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m -59.13 -36.18 74.77 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.822 0.849 . . . . 0.0 112.705 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.22 -41.29 25.42 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.682 0.793 . . . . 0.0 112.218 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.45 -38.59 62.94 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -63.32 -40.82 98.39 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.584 -1.322 . . . . 0.0 110.629 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.0 75.04 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.045 0.538 . . . . 0.0 111.461 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -65.76 -56.83 9.93 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.928 0.891 . . . . 0.0 111.191 174.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -66.19 -20.66 66.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -64.39 -19.73 65.68 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.168 -0.958 . . . . 0.0 112.453 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.7 pt -121.83 -2.02 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.59 1.556 . . . . 0.0 114.206 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.5 t -118.12 125.33 50.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.558 1.543 . . . . 0.0 112.744 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -130.76 16.15 5.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.236 1.814 . . . . 0.0 112.2 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.15 -12.18 59.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.135 1.374 . . . . 0.0 110.874 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 p -55.29 0.59 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 130.53 3.532 . . . . 0.0 117.418 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.18 28.83 0.89 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.073 1.797 . . . . 0.0 112.807 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.094 1.358 . . . . 0.0 112.691 -177.765 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.5 ttt . . . . . 0 CA--C 1.552 1.024 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.2 t -103.26 133.44 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.303 1.441 . . . . 0.0 111.495 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -63.73 144.98 56.6 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.624 1.57 . . . . 0.0 113.235 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -70.2 -12.0 61.29 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -116.02 -71.51 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 124.812 1.245 . . . . 0.0 112.199 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 p -72.7 -2.16 19.15 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.2 m80 43.33 40.19 2.46 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.477 1.911 . . . . 0.0 113.564 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -123.05 164.55 18.38 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.785 2.434 . . . . 0.0 110.46 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.43 173.68 12.36 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.803 1.241 . . . . 0.0 112.222 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.6 t -132.88 164.19 27.46 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.349 1.86 . . . . 0.0 109.181 176.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -55.38 -32.05 62.29 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.253 -0.904 . . . . 0.0 112.317 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.24 158.1 44.1 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.447 1.499 . . . . 0.0 110.769 174.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.72 -11.09 60.48 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -90.78 -45.28 8.91 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.491 1.516 . . . . 0.0 111.198 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -66.44 -17.13 64.61 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.342 0.657 . . . . 0.0 112.089 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.2 tp -55.15 -31.91 61.69 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.99 1.716 . . . . 0.0 112.693 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.97 -34.56 76.79 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.113 -0.992 . . . . 0.0 111.708 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 m -75.25 -33.64 61.33 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.361 -0.837 . . . . 0.0 110.054 173.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -56.09 -59.4 4.98 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.568 1.547 . . . . 0.0 110.288 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -56.69 -38.81 72.76 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -69.51 -19.9 63.72 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.747 0.819 . . . . 0.0 112.872 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -91.19 -43.03 10.1 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.159 0.984 . . . . 0.0 109.699 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.6 m -55.21 -45.6 75.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.851 1.66 . . . . 0.0 113.355 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.9 tp -59.03 -19.46 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.653 0.781 . . . . 0.0 112.346 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -110.6 7.24 22.34 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.269 2.228 . . . . 0.0 112.599 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.36 20.62 78.35 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.577 1.56 . . . . 0.0 115.761 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -117.53 158.02 25.29 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.349 1.575 . . . . 0.0 113.641 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.9 t -89.96 137.01 28.39 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 125.126 1.37 . . . . 0.0 110.56 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.55 -13.94 42.35 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.432 2.755 . . . . 0.0 116.644 -177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -132.26 -42.61 0.97 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -176.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.4 p -84.02 -6.2 59.37 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 121.153 1.797 . . . . 0.0 112.158 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.38 7.32 1.26 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.746 2.818 . . . . 0.0 115.918 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 56.6 m -57.91 144.72 38.1 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.598 1.159 . . . . 0.0 110.477 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.5 mt -121.75 138.21 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.552 1.141 . . . . 0.0 110.814 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.2 p -142.22 -174.27 4.06 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.948 2.899 . . . . 0.0 108.715 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 mp0 -65.62 150.48 48.37 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.174 -1.579 . . . . 0.0 109.256 172.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.31 7.18 3.68 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.7 p -78.52 151.06 32.74 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.923 1.289 . . . . 0.0 112.205 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.35 -41.68 89.76 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.321 -0.862 . . . . 0.0 112.215 178.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.4 m -59.41 -38.12 79.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.265 1.026 . . . . 0.0 112.701 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.04 -39.66 29.38 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.521 0.728 . . . . 0.0 112.068 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.4 mt -72.33 -43.04 64.7 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -59.22 -40.94 87.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.617 1.098 . . . . 0.0 111.323 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.39 71.26 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.048 0.539 . . . . 0.0 111.928 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.05 -43.73 42.49 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.383 0.673 . . . . 0.0 112.385 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -68.98 -19.57 64.16 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.109 -1.619 . . . . 0.0 112.814 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.3 m -73.25 -19.45 61.06 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.306 -0.872 . . . . 0.0 110.412 169.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -95.9 -30.48 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 128.949 2.9 . . . . 0.0 111.804 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.6 t -114.24 141.31 47.72 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.169 1.787 . . . . 0.0 114.911 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -139.01 7.24 2.44 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.58 1.952 . . . . 0.0 112.57 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 99.4 mt -75.62 -5.97 48.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.955 1.302 . . . . 0.0 112.816 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 64.0 p -55.5 5.11 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 129.921 3.289 . . . . 0.0 117.57 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.74 28.29 0.19 Allowed Glycine 0 CA--C 1.535 1.321 0 C-N-CA 126.491 1.996 . . . . 0.0 112.48 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.63 1.572 . . . . 0.0 114.662 -178.938 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 CA--C 1.548 0.868 0 CA-C-O 121.401 0.619 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.3 t -125.38 138.55 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.398 1.479 . . . . 0.0 111.066 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.41 150.66 21.78 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.421 1.488 . . . . 0.0 114.085 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.25 -14.26 57.63 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.649 1.18 . . . . 0.0 113.898 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.85 -65.53 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.984 1.314 . . . . 0.0 113.13 -177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.64 -9.19 59.6 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.309 1.4 t60 49.94 38.16 15.58 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.412 1.885 . . . . 0.0 114.771 -177.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -109.78 160.22 16.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.526 1.93 . . . . 0.0 110.645 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -75.73 160.23 30.25 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.61 1.164 . . . . 0.0 111.612 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.1 t -129.11 165.84 20.47 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.539 1.535 . . . . 0.0 111.061 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -53.43 -43.75 68.27 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.243 1.417 . . . . 0.0 113.013 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 p -143.8 165.28 28.13 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.126 1.37 . . . . 0.0 111.318 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.47 -14.31 62.91 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -90.19 -45.2 9.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.352 1.461 . . . . 0.0 110.512 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -66.43 -17.63 64.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.526 0.731 . . . . 0.0 111.878 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.24 -34.14 68.28 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.872 1.669 . . . . 0.0 112.554 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.92 -45.39 82.04 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.362 0.665 . . . . 0.0 110.209 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.1 m -62.02 -31.21 71.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.656 1.182 . . . . 0.0 111.591 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -68.02 -60.61 2.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.064 1.346 . . . . 0.0 110.497 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -59.64 -39.84 85.69 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -68.2 -19.62 64.78 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.062 0.846 . . . . 0.0 113.008 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 m -87.15 -46.41 9.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.526 0.73 . . . . 0.0 109.825 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 93.2 m -53.11 -44.52 67.7 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.173 1.389 . . . . 0.0 113.832 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.9 tp -58.93 -19.56 15.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.823 0.849 . . . . 0.0 112.733 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -113.2 7.26 17.8 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.966 2.107 . . . . 0.0 112.742 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.57 8.7 84.37 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.353 1.454 . . . . 0.0 115.987 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -90.82 153.84 19.94 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.699 1.599 . . . . 0.0 111.897 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 52.8 t -107.61 131.39 21.76 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.516 1.926 . . . . 0.0 108.688 171.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -64.32 155.86 63.23 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.128 1.885 . . . . 0.0 111.755 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 53.42 -40.85 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 130.224 3.41 . . . . 0.0 119.249 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -84.93 -13.62 50.23 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 121.781 2.082 . . . . 0.0 111.914 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.3 mmt 57.42 24.59 10.35 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.787 2.835 . . . . 0.0 116.657 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.2 m -66.1 147.1 53.85 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.308 -0.87 . . . . 0.0 109.374 173.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.0 mt -131.7 139.38 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.385 1.074 . . . . 0.0 110.256 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.4 t -148.33 -167.73 2.89 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.744 1.618 . . . . 0.0 112.607 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -53.63 -8.08 0.14 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 129.812 3.245 . . . . 0.0 118.982 -174.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 65.82 8.63 5.43 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.2 p -90.45 150.55 21.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.356 1.062 . . . . 0.0 110.308 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.74 -32.12 67.13 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.931 -1.105 . . . . 0.0 112.807 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -68.23 -44.98 74.5 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.089 0.956 . . . . 0.0 111.848 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.68 78.93 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.226 0.61 . . . . 0.0 111.965 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.23 -48.11 58.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -59.9 -37.0 78.15 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.341 0.973 . . . . 0.0 111.849 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.15 -35.42 77.06 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.536 0.607 . . . . 0.0 111.699 175.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -72.71 -49.1 33.45 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.775 -0.578 . . . . 0.0 110.982 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -63.35 -19.85 65.0 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.3 m -63.45 -20.98 66.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.466 0.706 . . . . 0.0 111.978 172.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.4 pt -123.58 -5.0 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 C-N-CA 126.409 1.884 . . . . 0.0 114.017 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 15.5 t -116.67 125.13 51.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.485 1.514 . . . . 0.0 114.309 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -128.78 11.79 6.19 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.716 1.606 . . . . 0.0 112.965 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.0 mp -75.34 -8.89 57.86 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.857 1.263 . . . . 0.0 111.37 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.4 p -47.05 -16.34 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 130.387 3.475 . . . . 0.0 117.96 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.26 32.65 1.96 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.717 1.627 . . . . 0.0 112.58 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.346 0 CA-C-O 115.895 -2.002 . . . . 0.0 115.727 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt . . . . . 0 CA--C 1.548 0.892 0 CA-C-O 121.066 0.46 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 t -126.46 137.94 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.167 1.387 . . . . 0.0 111.53 -175.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.64 151.12 25.55 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.75 1.62 . . . . 0.0 114.085 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -83.29 -9.34 59.16 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.735 1.214 . . . . 0.0 114.079 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -116.71 -60.82 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.996 1.318 . . . . 0.0 113.348 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.0 p -86.38 -7.23 58.62 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.324 1.8 t60 47.71 39.96 11.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.395 1.878 . . . . 0.0 115.308 -176.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -114.5 160.35 19.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.571 1.948 . . . . 0.0 110.389 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.7 170.5 16.56 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.554 1.142 . . . . 0.0 112.539 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.3 t -134.78 169.82 16.78 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.963 1.705 . . . . 0.0 110.786 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -55.6 -40.65 72.35 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.75 1.22 . . . . 0.0 112.302 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 p -142.59 164.31 30.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.621 1.568 . . . . 0.0 111.358 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.62 -13.45 61.76 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 121.566 -0.709 . . . . 0.0 112.903 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -88.28 -46.28 9.34 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.567 1.547 . . . . 0.0 110.769 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -18.28 65.18 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.455 1.102 . . . . 0.0 111.661 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.37 -31.68 66.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.396 1.478 . . . . 0.0 112.286 175.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.16 -46.06 82.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.479 -0.763 . . . . 0.0 110.028 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 m -62.42 -31.93 72.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.021 0.929 . . . . 0.0 111.239 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -64.96 -60.65 2.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.007 1.323 . . . . 0.0 110.518 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -59.16 -41.02 87.39 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.89 -19.58 64.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.008 0.822 . . . . 0.0 113.02 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 m -87.26 -46.14 9.98 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.432 0.693 . . . . 0.0 109.477 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -53.67 -45.23 70.22 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.525 1.53 . . . . 0.0 113.575 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.1 tp -58.33 -19.51 13.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.723 0.809 . . . . 0.0 112.623 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -110.55 6.35 21.86 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.189 2.196 . . . . 0.0 112.852 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.76 15.99 80.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.873 1.225 . . . . 0.0 115.001 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.09 161.28 15.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.308 1.443 . . . . 0.0 112.579 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 50.9 t -108.52 136.9 19.87 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 126.393 1.877 . . . . 0.0 110.396 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -65.25 157.15 59.22 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.39 2.06 . . . . 0.0 111.407 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 52.78 -28.76 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 129.787 3.235 . . . . 0.0 119.564 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.1 p -96.47 -18.24 19.99 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 121.604 2.002 . . . . 0.0 110.985 172.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.3 mtt 58.77 14.39 3.19 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 128.558 2.743 . . . . 0.0 116.383 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.4 m -60.82 144.35 52.79 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.054 0.942 . . . . 0.0 110.294 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.7 mt -121.45 142.15 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.663 1.185 . . . . 0.0 111.403 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.2 t -149.42 -167.11 2.74 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 128.616 2.767 . . . . 0.0 108.455 176.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.76 148.86 48.62 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 119.842 -1.786 . . . . 0.0 111.001 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.29 5.23 4.72 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.9 p -76.46 149.32 36.82 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.518 1.127 . . . . 0.0 111.626 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -58.24 -41.67 84.68 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.161 -0.962 . . . . 0.0 112.191 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 m -59.72 -39.4 84.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.185 0.994 . . . . 0.0 112.754 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.78 -38.45 46.68 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.454 0.701 . . . . 0.0 111.89 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.7 mt -69.97 -47.21 63.18 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.785 -0.572 . . . . 0.0 111.758 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -59.73 -36.15 76.0 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.145 0.884 . . . . 0.0 111.701 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.64 85.46 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.532 0.605 . . . . 0.0 111.18 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -72.7 -46.74 52.14 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.834 -0.542 . . . . 0.0 111.447 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -64.32 -20.71 66.27 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.478 -1.389 . . . . 0.0 113.717 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t -74.18 -19.68 60.46 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.088 0.955 . . . . 0.0 112.028 171.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.95 -34.46 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 127.838 2.455 . . . . 0.0 112.053 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.7 t -97.87 147.33 24.55 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -169.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.72 7.48 1.68 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.119 2.168 . . . . 0.0 112.918 175.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.1 mp -83.83 -6.76 59.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.239 1.416 . . . . 0.0 112.881 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.4 p -48.74 -17.68 0.2 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 128.371 2.669 . . . . 0.0 117.194 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.83 30.79 1.37 Allowed Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.812 1.672 . . . . 0.0 112.685 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.5 ptt85 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 125.982 1.713 . . . . 0.0 114.886 -179.285 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt . . . . . 0 CA--C 1.553 1.076 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.8 t -117.86 139.19 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.125 1.37 . . . . 0.0 111.9 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.3 t -60.94 145.28 51.03 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.087 1.755 . . . . 0.0 113.636 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.31 -13.8 60.45 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 80.2 t -113.3 -61.44 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.737 1.215 . . . . 0.0 113.441 -176.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 p -89.03 0.7 56.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 45.11 40.13 4.51 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.505 1.922 . . . . 0.0 113.682 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -116.37 166.44 12.06 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.098 2.159 . . . . 0.0 111.144 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -90.24 167.81 12.41 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.043 1.337 . . . . 0.0 111.856 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.1 t -133.17 164.05 27.91 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.195 1.798 . . . . 0.0 110.153 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.39 -33.75 68.16 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -142.5 158.56 43.56 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.887 1.275 . . . . 0.0 111.588 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.87 -16.46 64.1 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -48.97 9.06 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.509 1.524 . . . . 0.0 109.071 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.05 -15.2 63.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.824 0.85 . . . . 0.0 111.76 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.04 -28.93 70.13 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.89 1.276 . . . . 0.0 111.368 172.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.6 -36.27 70.76 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.813 -1.179 . . . . 0.0 109.613 172.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -67.57 -32.48 73.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.966 1.306 . . . . 0.0 110.691 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -64.35 -63.54 1.11 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.348 1.859 . . . . 0.0 111.357 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -57.39 -39.92 77.13 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -68.14 -18.51 64.64 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -94.65 -40.43 9.82 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.332 1.053 . . . . 0.0 110.258 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 92.0 m -55.54 -41.14 72.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.566 1.546 . . . . 0.0 113.525 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.8 tt -58.11 -19.8 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -111.43 9.6 21.42 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.276 1.831 . . . . 0.0 112.518 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.8 25.41 74.15 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.083 1.325 . . . . 0.0 114.673 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -117.23 148.77 41.35 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.276 1.43 . . . . 0.0 113.591 -174.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.2 t -79.95 135.61 55.1 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.097 0.959 . . . . 0.0 110.835 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -50.39 -33.21 36.65 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 124.556 3.504 . . . . 0.0 117.853 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -139.47 -25.95 0.83 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 -175.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -5.53 59.17 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.545 1.975 . . . . 0.0 112.813 177.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.7 mmt 62.66 13.4 6.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.261 2.624 . . . . 0.0 115.25 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.1 m -64.15 141.72 58.67 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.193 -0.942 . . . . 0.0 109.51 174.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.7 mt -129.3 139.29 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.848 1.259 . . . . 0.0 110.091 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.8 t -152.45 -166.73 2.55 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.764 2.426 . . . . 0.0 109.131 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -65.29 152.25 44.21 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.255 -1.528 . . . . 0.0 111.918 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.32 0.63 16.08 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.0 p -71.77 148.55 46.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.906 1.282 . . . . 0.0 111.824 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -38.99 79.45 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.554 -0.716 . . . . 0.0 112.34 177.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -60.12 -44.45 94.88 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.933 0.893 . . . . 0.0 112.952 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.5 -42.99 70.6 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.612 -0.68 . . . . 0.0 111.897 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.5 mt -68.79 -39.16 80.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.19 0.596 . . . . 0.0 112.21 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -62.94 -39.21 93.93 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.758 -1.214 . . . . 0.0 110.737 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.87 93.62 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.499 0.591 . . . . 0.0 110.868 174.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -63.25 -56.66 14.74 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.799 0.84 . . . . 0.0 111.104 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -65.16 -19.7 66.1 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.925 -1.109 . . . . 0.0 113.948 -177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.3 m -66.15 -19.94 65.99 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.383 -0.823 . . . . 0.0 112.273 172.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 pp -121.21 1.36 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.753 1.621 . . . . 0.0 114.212 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.8 t -124.78 134.15 52.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.965 1.706 . . . . 0.0 112.819 -178.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -128.89 -0.23 5.33 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.821 1.648 . . . . 0.0 113.724 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.3 -5.25 34.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.698 1.199 . . . . 0.0 112.537 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.2 p -50.51 -25.29 3.88 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.415 2.686 . . . . 0.0 115.685 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.22 33.84 0.38 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.648 1.118 . . . . 0.0 113.474 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.98 2.112 . . . . 0.0 110.824 -177.384 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 tpt . . . . . 0 CA--C 1.546 0.814 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 t -128.47 126.89 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.102 1.361 . . . . 0.0 111.482 -176.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.39 148.17 38.18 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.26 1.424 . . . . 0.0 114.655 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.81 -12.48 60.7 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.912 1.685 . . . . 0.0 114.284 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.86 -66.16 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.502 1.521 . . . . 0.0 112.917 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.58 -8.89 59.76 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.289 0.1 OUTLIER 52.33 34.68 15.4 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.249 1.42 . . . . 0.0 114.529 -177.857 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -118.27 159.29 23.61 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.505 2.322 . . . . 0.0 109.786 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -79.73 171.9 14.51 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.498 1.119 . . . . 0.0 113.145 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.7 t -123.9 178.43 5.27 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.155 2.182 . . . . 0.0 109.346 177.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.02 -35.79 77.82 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.451 -1.405 . . . . 0.0 111.059 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 p -140.64 160.4 40.11 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.858 1.663 . . . . 0.0 111.354 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.18 -13.38 62.16 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -86.73 -45.65 10.76 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.365 1.466 . . . . 0.0 111.11 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.13 -12.49 61.64 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.3 tp -57.55 -30.94 65.63 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.385 1.474 . . . . 0.0 112.087 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.83 -37.4 87.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.749 1.22 . . . . 0.0 111.023 175.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.8 m -77.0 -33.46 57.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.219 1.007 . . . . 0.0 110.825 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -56.16 -60.01 4.1 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.761 1.624 . . . . 0.0 110.003 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -56.83 -37.55 71.38 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.87 -19.28 65.01 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.407 1.083 . . . . 0.0 113.044 177.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.5 m -95.25 -41.01 9.27 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.676 1.191 . . . . 0.0 110.034 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.7 m -55.71 -41.57 73.99 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.767 1.627 . . . . 0.0 113.416 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.1 tt -58.22 -19.7 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 123.639 0.776 . . . . 0.0 112.98 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -112.4 9.93 19.77 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.462 1.905 . . . . 0.0 112.444 176.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.45 24.32 77.01 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.479 1.514 . . . . 0.0 115.761 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -119.11 152.52 36.36 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.705 1.602 . . . . 0.0 114.128 -175.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.1 t -81.42 138.09 48.26 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.779 1.232 . . . . 0.0 111.156 174.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -65.35 -13.26 38.84 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.694 2.929 . . . . 0.0 116.136 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -132.46 -43.81 0.92 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 116.976 2.213 . . . . 0.0 116.976 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.4 p -84.28 -5.98 59.33 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 121.351 1.887 . . . . 0.0 112.236 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.0 mmt 59.7 8.49 1.32 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.62 2.768 . . . . 0.0 115.621 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.1 m -59.83 145.1 46.73 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.589 1.156 . . . . 0.0 110.195 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.6 mt -125.01 138.01 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.967 1.307 . . . . 0.0 110.001 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.1 p -131.58 -84.01 0.51 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.913 1.285 . . . . 0.0 108.895 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -152.31 156.46 39.68 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.265 2.226 . . . . 0.0 109.837 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.79 -0.68 21.9 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.1 p -73.81 146.98 43.79 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.218 1.007 . . . . 0.0 111.37 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.84 -31.97 72.26 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.149 -0.97 . . . . 0.0 111.534 176.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.8 m -63.07 -44.0 96.99 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.477 1.111 . . . . 0.0 112.701 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.97 -41.33 59.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.226 0.61 . . . . 0.0 111.633 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.93 -44.72 76.18 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.641 0.776 . . . . 0.0 112.584 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.56 -39.34 87.65 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.023 1.283 . . . . 0.0 111.342 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.43 94.19 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.188 0.449 . . . . 0.0 111.105 175.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -69.47 -50.65 43.45 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.257 0.623 . . . . 0.0 111.942 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -65.45 -19.87 66.12 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.441 -1.412 . . . . 0.0 113.733 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -72.49 -19.56 61.53 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.539 0.736 . . . . 0.0 111.669 170.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.25 -35.36 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 127.977 2.511 . . . . 0.0 111.452 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.0 t -95.42 125.66 40.19 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 -169.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -117.81 1.85 12.16 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.88 2.072 . . . . 0.0 111.965 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.9 -5.56 41.86 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.403 1.481 . . . . 0.0 112.758 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.8 p -56.39 13.49 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 130.048 3.339 . . . . 0.0 117.414 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.26 23.54 0.11 Allowed Glycine 0 CA--C 1.54 1.603 0 C-N-CA 127.484 2.469 . . . . 0.0 112.742 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.545 1.538 . . . . 0.0 114.578 -178.584 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 ttt . . . . . 0 CA--C 1.545 0.777 0 CA-C-O 121.02 0.438 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.4 t -125.33 135.86 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.257 1.423 . . . . 0.0 111.467 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.8 t -64.09 144.74 56.88 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.036 1.335 . . . . 0.0 112.618 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.43 -14.05 62.39 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.0 1.32 . . . . 0.0 114.196 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.26 -71.75 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 125.207 1.403 . . . . 0.0 112.878 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 p -72.82 -4.01 29.01 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.251 51.6 m80 47.87 35.28 4.67 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.02 2.128 . . . . 0.0 114.326 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -118.62 163.09 17.33 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.333 2.253 . . . . 0.0 110.223 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -80.51 168.31 19.09 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.185 0.994 . . . . 0.0 112.847 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.8 t -119.32 167.3 12.02 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.235 1.814 . . . . 0.0 109.123 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -55.03 -35.87 64.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.236 -0.915 . . . . 0.0 112.178 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 p -141.77 162.33 35.75 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.503 1.521 . . . . 0.0 111.199 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.95 -16.8 62.1 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 121.44 -0.788 . . . . 0.0 112.423 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -79.9 -47.56 14.87 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.849 1.66 . . . . 0.0 111.11 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -75.6 -4.67 41.38 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 tp -57.2 -33.03 67.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.095 1.358 . . . . 0.0 112.404 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.64 -50.61 64.38 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.589 -0.695 . . . . 0.0 109.42 173.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 m -55.3 -35.46 65.12 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.26 1.024 . . . . 0.0 111.479 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -61.35 -60.17 4.15 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.037 1.335 . . . . 0.0 110.576 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -60.01 -36.97 78.36 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -68.17 -19.99 64.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.868 0.758 . . . . 0.0 112.781 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.8 m -88.77 -45.03 10.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.655 0.782 . . . . 0.0 109.737 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.9 m -55.84 -44.68 78.22 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.525 1.53 . . . . 0.0 113.378 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.6 tp -59.46 -19.38 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 123.522 0.729 . . . . 0.0 112.485 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -108.19 6.75 27.02 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.053 2.141 . . . . 0.0 112.736 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.29 23.87 77.27 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.311 1.434 . . . . 0.0 115.706 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -122.97 159.35 28.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.905 1.682 . . . . 0.0 113.268 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.437 ' SG ' ' CE1' ' A' ' 90' ' ' HIS . 43.3 t -94.03 137.94 22.81 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.348 1.459 . . . . 0.0 111.793 175.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -64.98 148.78 89.89 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 121.371 1.381 . . . . 0.0 109.799 173.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 53.76 -42.52 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 129.485 3.114 . . . . 0.0 118.569 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -25.6 56.19 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 121.313 1.87 . . . . 0.0 111.037 175.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . 0.25 61.2 mtt 61.91 13.64 5.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.927 2.491 . . . . 0.0 116.303 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.9 m -58.78 140.94 54.34 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.111 0.964 . . . . 0.0 110.155 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.0 mt -121.83 142.91 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.877 1.271 . . . . 0.0 110.712 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 81' ' ' GLU . 4.5 t -144.09 -89.22 0.12 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.781 1.232 . . . . 0.0 109.479 174.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.537 ' H ' HG23 ' A' ' 80' ' ' THR . 51.6 mm-40 -149.64 158.07 43.83 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.995 2.118 . . . . 0.0 109.171 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.9 1.26 18.1 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.5 p -76.12 145.46 39.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.363 1.065 . . . . 0.0 111.516 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.09 -38.05 81.79 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.105 -0.997 . . . . 0.0 111.597 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 m -58.34 -38.77 77.84 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.226 1.01 . . . . 0.0 112.715 177.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.06 -40.41 27.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.669 0.787 . . . . 0.0 112.148 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.13 -39.53 71.94 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.828 -0.545 . . . . 0.0 112.094 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -59.68 -43.91 93.84 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.973 -1.079 . . . . 0.0 110.737 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.95 81.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.52 0.728 . . . . 0.0 111.667 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.437 ' CE1' ' SG ' ' A' ' 73' ' ' CYS . 6.2 t-80 -64.35 -54.31 35.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.577 0.751 . . . . 0.0 111.287 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -65.99 -20.94 66.36 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -175.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.2 m -62.04 -19.87 63.34 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.699 0.681 . . . . 0.0 112.616 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.6 pt -124.64 3.42 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 125.618 1.567 . . . . 0.0 115.073 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.2 t -121.83 136.05 54.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.865 1.266 . . . . 0.0 114.326 -177.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.52 16.18 2.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.629 1.971 . . . . 0.0 113.616 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.7 mt -94.69 8.7 41.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.119 1.368 . . . . 0.0 111.665 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.2 p -55.74 -17.05 5.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.648 2.379 . . . . 0.0 116.048 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.24 32.79 0.29 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 126.151 1.834 . . . . 0.0 111.617 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.9 ttm105 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 127.018 2.127 . . . . 0.0 111.437 -174.622 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.1 tpt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.309 0.099 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.22 172.28 43.88 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.68 1.133 . . . . 0.0 112.863 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.2 p -61.42 -8.09 3.73 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tpt -126.34 18.23 7.61 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.2 1.8 . . . . 0.0 112.735 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.65 137.8 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.316 1.446 . . . . 0.0 112.476 -174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.0 t -67.91 145.1 54.91 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.18 1.392 . . . . 0.0 113.705 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -72.02 -15.66 62.04 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.784 1.234 . . . . 0.0 114.312 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.9 t -112.57 -63.81 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 125.01 1.324 . . . . 0.0 113.176 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 p -80.52 -8.7 59.67 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.256 0.3 OUTLIER 52.63 27.84 5.57 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.323 1.449 . . . . 0.0 114.541 -177.562 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -104.41 162.9 12.84 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.278 1.831 . . . . 0.0 110.332 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -78.42 166.67 22.36 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.543 1.137 . . . . 0.0 113.121 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.3 t -134.91 161.78 34.27 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.673 1.989 . . . . 0.0 108.961 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.05 -29.8 70.72 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.7 p -141.05 157.91 44.66 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.714 1.206 . . . . 0.0 111.642 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -14.09 61.83 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -88.14 -42.02 12.62 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.429 1.491 . . . . 0.0 111.438 179.04 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.56 -23.71 62.66 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.65 0.78 . . . . 0.0 111.098 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.9 tp -54.37 -34.82 61.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.855 1.662 . . . . 0.0 112.755 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.2 -32.09 71.14 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.359 1.064 . . . . 0.0 111.808 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.4 m -79.47 -34.95 40.98 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.409 0.684 . . . . 0.0 110.51 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -52.1 -59.64 4.13 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.034 1.734 . . . . 0.0 110.429 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -56.23 -36.91 69.03 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -70.03 -19.88 63.28 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.103 0.961 . . . . 0.0 113.215 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 m -93.88 -40.83 9.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.836 0.854 . . . . 0.0 109.495 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.8 m -56.1 -43.33 77.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.381 1.472 . . . . 0.0 113.16 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.8 tp -59.07 -19.59 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.79 0.836 . . . . 0.0 112.369 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -109.14 5.7 24.18 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 127.224 2.21 . . . . 0.0 112.558 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.75 19.99 79.52 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.378 1.466 . . . . 0.0 115.246 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -116.86 155.01 29.76 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.213 1.405 . . . . 0.0 113.822 -175.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.7 t -83.11 136.54 43.62 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 124.644 1.177 . . . . 0.0 110.201 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -64.88 -13.21 38.24 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.455 2.77 . . . . 0.0 116.532 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -134.54 -43.2 0.76 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.0 p -81.89 -6.19 58.89 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.127 1.785 . . . . 0.0 112.293 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.7 mmt 60.45 8.09 1.54 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.816 2.846 . . . . 0.0 116.117 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.7 m -57.62 142.53 44.5 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.413 1.085 . . . . 0.0 110.285 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.7 mt -120.22 139.93 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.618 1.167 . . . . 0.0 110.755 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 t -149.33 -169.23 3.32 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.965 2.506 . . . . 0.0 109.174 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.39 143.16 57.31 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.138 -1.601 . . . . 0.0 111.155 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.32 41.59 0.39 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.723 1.209 . . . . 0.0 113.164 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.9 p -119.36 149.22 42.19 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.311 1.844 . . . . 0.0 110.421 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.11 -36.03 74.45 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.28 -0.887 . . . . 0.0 112.798 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.6 m -61.82 -41.54 97.9 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.268 1.027 . . . . 0.0 112.729 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.83 -42.02 35.06 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.495 0.718 . . . . 0.0 111.902 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.84 -42.26 90.75 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.427 0.691 . . . . 0.0 111.625 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.76 -40.57 92.99 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.115 -0.991 . . . . 0.0 111.179 175.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.21 81.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.527 0.603 . . . . 0.0 111.528 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -71.23 -53.99 12.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.46 0.704 . . . . 0.0 111.615 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -64.57 -19.83 65.88 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.9 m -64.09 -20.11 65.72 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.379 -0.826 . . . . 0.0 112.136 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.8 pt -122.8 1.6 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.949 1.7 . . . . 0.0 113.99 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.7 t -121.93 127.34 50.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.808 1.643 . . . . 0.0 113.013 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -128.35 6.98 5.84 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.948 1.699 . . . . 0.0 112.975 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.45 -14.9 62.86 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.189 0.996 . . . . 0.0 111.33 172.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.6 p -46.76 -16.44 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 130.03 3.332 . . . . 0.0 116.058 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.85 34.81 0.41 Allowed Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.189 1.852 . . . . 0.0 112.207 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 . . . . . 0 C--O 1.251 1.133 0 C-N-CA 125.726 1.611 . . . . 0.0 112.153 -178.585 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.485 1.325 0 N-CA-C 110.867 -0.049 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.75 166.71 39.69 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.381 0.991 . . . . 0.0 113.147 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.1 p -66.01 -12.56 56.04 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 ttt -119.99 28.2 8.23 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.966 1.706 . . . . 0.0 112.284 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.2 t -126.37 138.2 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.585 1.554 . . . . 0.0 111.222 -176.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.2 t -61.18 152.62 28.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.518 1.527 . . . . 0.0 113.921 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -85.12 -9.46 57.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.995 1.318 . . . . 0.0 113.834 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.6 t -116.95 -61.09 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.134 1.374 . . . . 0.0 113.098 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.1 p -85.23 -7.39 59.05 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.296 1.5 t60 48.03 36.65 6.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.987 1.715 . . . . 0.0 114.975 -177.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -111.69 160.15 17.54 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.719 2.008 . . . . 0.0 110.031 177.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.5 169.68 17.61 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.963 0.905 . . . . 0.0 112.454 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.4 t -133.34 157.67 44.92 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.268 1.827 . . . . 0.0 108.626 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -59.72 -27.74 66.73 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.33 157.27 45.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.727 1.211 . . . . 0.0 111.215 176.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.78 -12.8 60.81 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -89.69 -45.08 9.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.202 1.401 . . . . 0.0 111.192 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.69 -14.53 63.08 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.663 0.785 . . . . 0.0 112.325 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.4 tp -56.14 -32.16 64.0 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.634 1.574 . . . . 0.0 112.368 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -69.54 -40.91 76.58 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.181 -0.949 . . . . 0.0 111.154 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -63.43 -35.47 80.52 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.646 -0.659 . . . . 0.0 110.448 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -58.4 -60.46 3.75 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.365 1.466 . . . . 0.0 110.216 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -58.91 -38.13 78.21 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.86 -24.1 67.44 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.965 0.906 . . . . 0.0 112.947 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 m -92.14 -42.67 9.78 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.365 1.066 . . . . 0.0 110.33 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.0 m -56.0 -46.14 78.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.514 1.526 . . . . 0.0 113.139 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.5 tt -58.36 -19.41 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 123.941 0.896 . . . . 0.0 112.869 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -110.82 6.44 21.37 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.878 2.071 . . . . 0.0 112.958 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.63 40.71 85.69 Favored Glycine 0 N--CA 1.468 0.816 0 C-N-CA 124.781 1.181 . . . . 0.0 114.632 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -136.99 153.02 50.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.043 1.337 . . . . 0.0 112.607 -176.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.89 138.24 37.52 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 124.236 1.014 . . . . 0.0 109.751 173.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -63.96 -15.3 48.34 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.142 2.561 . . . . 0.0 116.278 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -136.48 -42.99 0.61 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 117.155 2.279 . . . . 0.0 117.155 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 p -82.26 -5.92 58.87 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 121.33 1.877 . . . . 0.0 112.431 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.3 mmt 58.14 16.71 4.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.455 2.702 . . . . 0.0 115.625 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.9 m -61.12 145.01 52.48 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.504 -0.747 . . . . 0.0 109.022 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.7 mt -113.4 147.34 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.516 1.126 . . . . 0.0 111.245 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.9 p -136.35 -178.0 4.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.362 2.265 . . . . 0.0 111.936 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.94 2.39 6.98 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.182 1.393 . . . . 0.0 114.157 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 64.09 15.26 9.15 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.106 1.762 . . . . 0.0 114.248 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.7 p -103.08 155.82 18.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.665 1.586 . . . . 0.0 110.326 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.77 -43.63 85.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.358 -0.839 . . . . 0.0 112.032 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.0 m -59.26 -38.03 79.09 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.05 0.94 . . . . 0.0 112.646 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.15 -35.93 35.91 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.488 0.715 . . . . 0.0 112.272 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.6 mt -74.79 -43.06 56.74 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.645 -0.659 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -61.28 -38.02 85.26 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.234 0.925 . . . . 0.0 111.203 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.45 78.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.162 0.585 . . . . 0.0 111.655 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -72.59 -54.46 9.06 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.464 0.706 . . . . 0.0 111.729 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -63.49 -19.64 64.93 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 t -61.72 -24.53 66.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.729 0.812 . . . . 0.0 112.205 172.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.0 pt -118.8 -3.54 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 125.587 1.555 . . . . 0.0 114.564 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.8 t -111.62 135.78 51.74 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.398 1.479 . . . . 0.0 112.778 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -132.95 0.79 3.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.948 1.699 . . . . 0.0 113.592 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.4 mt -69.1 -11.75 61.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.445 1.098 . . . . 0.0 112.96 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.5 p -49.36 -10.96 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 129.34 3.056 . . . . 0.0 117.489 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -157.63 34.22 0.54 Allowed Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.745 1.64 . . . . 0.0 112.255 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.701 1.6 . . . . 0.0 112.221 -178.781 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.57 -178.99 44.88 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.293 0.949 . . . . 0.0 113.209 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.8 p -58.01 -19.5 31.59 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 40.0 tpp -74.76 -9.05 58.18 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.478 1.511 . . . . 0.0 113.883 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.7 t -83.49 131.1 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.091 1.356 . . . . 0.0 112.41 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.4 t -64.83 146.86 54.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.957 1.703 . . . . 0.0 113.518 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.82 -17.92 63.42 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.323 1.449 . . . . 0.0 114.567 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.69 -63.95 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.061 1.344 . . . . 0.0 113.423 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 p -78.33 -3.44 43.03 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 44.91 36.35 1.87 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.407 1.883 . . . . 0.0 113.843 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -117.5 158.42 24.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.831 2.452 . . . . 0.0 109.619 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.88 166.5 23.54 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.308 -0.87 . . . . 0.0 113.137 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.7 t -130.06 167.3 18.52 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.35 1.86 . . . . 0.0 110.102 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -64.14 -37.36 87.16 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.159 -0.963 . . . . 0.0 112.691 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -143.31 158.83 43.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.901 1.28 . . . . 0.0 111.514 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.41 -11.36 60.76 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -94.71 -41.72 9.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.928 1.691 . . . . 0.0 110.725 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.54 -27.19 69.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.296 1.038 . . . . 0.0 110.72 173.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.05 -34.95 61.4 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.911 1.685 . . . . 0.0 113.316 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.99 -35.52 78.47 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.515 -0.741 . . . . 0.0 111.695 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 m -72.58 -34.64 67.57 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.382 173.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -58.94 -60.34 4.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.899 1.68 . . . . 0.0 110.278 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -57.21 -37.92 72.95 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.94 -19.93 65.02 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -93.45 -42.95 8.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.654 0.781 . . . . 0.0 109.909 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.1 m -53.9 -45.56 71.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.925 1.29 . . . . 0.0 112.988 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.2 tp -57.7 -19.54 12.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.961 0.904 . . . . 0.0 112.741 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -111.41 7.12 20.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.223 2.209 . . . . 0.0 113.065 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.92 26.91 73.11 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.454 1.026 . . . . 0.0 114.536 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -116.91 152.21 35.0 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.547 1.939 . . . . 0.0 113.298 -175.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.64 133.63 33.95 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 124.485 1.114 . . . . 0.0 109.178 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -64.19 -11.08 26.01 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.765 2.977 . . . . 0.0 117.093 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -135.02 -45.69 0.72 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -177.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 9.9 p -83.4 -4.29 58.35 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 120.659 1.572 . . . . 0.0 112.566 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 87.0 mmm 57.72 17.05 3.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.363 2.665 . . . . 0.0 115.836 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 55.2 m -60.4 142.53 54.85 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.356 -0.84 . . . . 0.0 109.927 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.52 137.5 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.938 1.295 . . . . 0.0 110.604 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.4 t -155.03 -170.94 3.65 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.29 2.236 . . . . 0.0 109.455 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.82 148.85 50.65 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.224 -1.547 . . . . 0.0 110.994 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.4 2.05 10.32 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.6 p -71.82 149.97 44.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.411 1.085 . . . . 0.0 111.295 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -61.59 -33.83 74.56 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.086 -1.009 . . . . 0.0 111.812 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 m -62.73 -42.52 99.7 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.279 1.032 . . . . 0.0 112.663 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.34 58.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.358 0.663 . . . . 0.0 111.695 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.09 -43.98 85.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.622 0.769 . . . . 0.0 111.939 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -61.18 -38.95 88.33 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.449 1.022 . . . . 0.0 111.45 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.96 77.94 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 118.755 0.707 . . . . 0.0 111.464 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.9 -53.88 11.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.533 0.733 . . . . 0.0 111.314 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -63.81 -19.89 65.37 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -65.52 -20.55 66.39 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.443 -0.786 . . . . 0.0 112.378 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.3 pt -121.19 -7.81 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.718 1.607 . . . . 0.0 114.084 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.1 t -105.95 130.53 53.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.26 1.424 . . . . 0.0 112.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.78 11.51 4.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.336 1.854 . . . . 0.0 112.366 176.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.31 -7.3 53.58 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.849 1.26 . . . . 0.0 111.284 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.5 p -54.86 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.16 1 C-N-CA 132.195 4.198 . . . . 0.0 117.914 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.07 17.47 0.1 OUTLIER Glycine 0 CA--C 1.539 1.581 0 C-N-CA 126.875 2.178 . . . . 0.0 113.566 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.501 1.52 . . . . 0.0 112.644 -178.059 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 110.553 -0.165 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.58 159.79 31.5 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 123.833 0.73 . . . . 0.0 113.751 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.8 p -73.78 -6.29 46.07 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 ttt -120.65 27.51 8.5 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.571 1.549 . . . . 0.0 112.772 -177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.2 t -120.51 132.18 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.74 1.616 . . . . 0.0 111.3 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.16 139.82 58.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.564 1.146 . . . . 0.0 112.433 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.81 -10.74 60.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.331 1.452 . . . . 0.0 114.73 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.55 -46.02 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.921 1.288 . . . . 0.0 113.412 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.1 p -104.2 0.37 29.4 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.3 m80 44.18 36.31 1.48 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.475 1.91 . . . . 0.0 114.724 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -117.11 162.12 18.34 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.855 2.062 . . . . 0.0 110.535 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -74.6 169.08 18.52 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.991 0.916 . . . . 0.0 112.888 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.4 t -130.55 159.95 35.61 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.96 2.104 . . . . 0.0 107.97 173.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.6 -31.05 71.81 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.893 -1.129 . . . . 0.0 113.052 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -140.68 158.69 43.61 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.91 1.284 . . . . 0.0 111.271 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.72 -12.44 61.32 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.89 -45.53 9.17 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.614 1.566 . . . . 0.0 111.125 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -68.2 -16.03 63.81 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.318 0.647 . . . . 0.0 112.174 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.55 -33.41 63.83 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.319 1.448 . . . . 0.0 112.034 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.34 -33.0 74.33 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.806 0.842 . . . . 0.0 111.73 176.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.1 m -77.68 -33.39 53.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.146 0.978 . . . . 0.0 110.474 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -57.51 -58.51 7.98 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.554 1.542 . . . . 0.0 109.693 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.5 ptp85 -55.54 -40.36 71.75 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -69.41 -24.37 63.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.959 0.904 . . . . 0.0 113.002 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.9 m -85.38 -46.47 10.92 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.321 0.649 . . . . 0.0 109.513 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m -56.14 -47.02 78.99 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.528 1.531 . . . . 0.0 113.361 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.6 tp -58.26 -19.43 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 123.317 0.647 . . . . 0.0 112.424 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -109.89 6.84 23.63 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.189 2.196 . . . . 0.0 113.194 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.22 30.02 65.66 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.602 1.096 . . . . 0.0 115.277 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -127.14 159.69 33.46 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.003 1.721 . . . . 0.0 112.567 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.1 t -93.57 139.42 22.83 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.374 1.47 . . . . 0.0 110.5 173.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -64.96 -12.74 35.99 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.257 2.638 . . . . 0.0 115.937 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -131.11 -51.95 1.03 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.5 p -79.82 -12.21 59.78 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.569 1.531 . . . . 0.0 112.251 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.6 mtt 56.26 18.56 3.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.098 2.559 . . . . 0.0 115.472 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 51.9 m -59.78 134.82 57.38 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.561 -0.712 . . . . 0.0 109.448 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.0 mm -98.63 139.37 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.245 1.018 . . . . 0.0 110.981 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.5 t -153.69 -177.83 6.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 127.298 2.239 . . . . 0.0 109.189 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -67.27 146.31 54.28 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.069 -1.645 . . . . 0.0 110.393 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.56 3.75 3.67 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.9 p -75.93 149.36 37.72 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.66 1.184 . . . . 0.0 111.537 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.11 -43.87 87.38 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.286 -0.884 . . . . 0.0 112.412 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.6 m -60.14 -39.13 85.25 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.914 0.886 . . . . 0.0 112.703 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.52 -37.01 57.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.27 0.628 . . . . 0.0 111.849 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 44.6 mt -70.51 -40.89 73.26 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.692 -0.63 . . . . 0.0 111.408 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.68 -37.79 85.41 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.301 -0.874 . . . . 0.0 111.148 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.19 -35.33 76.87 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.7 0.682 . . . . 0.0 111.66 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -72.56 -54.59 8.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.533 0.733 . . . . 0.0 111.325 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -63.71 -19.93 65.33 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.8 m -63.26 -20.11 65.16 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.446 -0.784 . . . . 0.0 112.458 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 pt -121.34 -6.33 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.637 1.575 . . . . 0.0 114.069 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 23.5 t -109.48 128.54 55.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.143 1.377 . . . . 0.0 113.423 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -131.98 11.9 4.71 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.107 1.763 . . . . 0.0 112.526 174.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.77 -11.44 60.95 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.742 1.217 . . . . 0.0 111.551 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 53.4 p -52.7 17.09 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 1 C-N-CA 132.779 4.432 . . . . 0.0 118.274 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.19 26.71 0.07 OUTLIER Glycine 0 CA--C 1.534 1.269 0 C-N-CA 127.229 2.347 . . . . 0.0 112.557 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.185 1.394 . . . . 0.0 112.76 -175.07 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.41 -37.84 0.55 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.661 1.124 . . . . 0.0 113.934 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -150.24 -31.43 0.2 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.837 1.255 . . . . 0.0 114.141 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.2 ttp -78.55 44.0 0.5 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.645 1.978 . . . . 0.0 112.233 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -114.88 136.15 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.93 2.092 . . . . 0.0 111.281 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.3 142.93 54.0 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.273 1.429 . . . . 0.0 113.71 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -72.17 -11.89 60.94 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.801 1.24 . . . . 0.0 114.127 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.4 t -114.97 -63.23 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 125.194 1.398 . . . . 0.0 113.122 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.0 p -81.57 -3.56 53.61 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 46.0 35.51 2.49 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.152 1.781 . . . . 0.0 113.918 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -111.66 150.13 30.58 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.771 2.028 . . . . 0.0 109.757 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -75.22 139.2 42.44 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.325 -0.859 . . . . 0.0 111.302 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.3 t -92.38 173.64 7.7 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.177 0.991 . . . . 0.0 111.056 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.76 -36.39 78.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.654 -1.279 . . . . 0.0 112.061 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -145.54 165.88 27.35 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.444 1.498 . . . . 0.0 112.009 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.41 -15.94 61.34 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -89.49 -43.99 10.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.234 1.414 . . . . 0.0 110.726 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.57 -23.55 66.87 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.393 1.077 . . . . 0.0 111.424 176.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.7 tp -53.09 -35.0 59.11 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.396 1.879 . . . . 0.0 112.889 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.09 -46.55 77.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.153 0.981 . . . . 0.0 110.969 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -64.77 -36.84 85.61 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.474 -0.766 . . . . 0.0 110.894 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -58.54 -60.4 3.87 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.438 1.495 . . . . 0.0 110.359 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -58.57 -39.2 79.64 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -69.43 -19.73 63.78 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.5 m -91.7 -43.09 9.79 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.491 -0.756 . . . . 0.0 110.044 174.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 67.3 m -54.83 -45.7 74.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.162 1.385 . . . . 0.0 113.134 176.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.6 tp -57.63 -19.49 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 123.891 0.877 . . . . 0.0 112.579 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -111.6 7.43 20.53 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.254 2.222 . . . . 0.0 113.145 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.82 27.71 71.9 Favored Glycine 0 CA--C 1.539 1.546 0 O-C-N 120.985 -1.072 . . . . 0.0 114.829 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -118.1 152.55 35.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.332 1.853 . . . . 0.0 113.106 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.6 t -89.74 133.22 34.6 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 124.427 1.091 . . . . 0.0 109.26 170.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -64.62 -18.79 63.88 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.352 2.701 . . . . 0.0 116.894 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -134.5 -12.68 2.35 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 117.662 2.468 . . . . 0.0 117.662 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.85 -2.68 14.3 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 120.565 1.53 . . . . 0.0 111.934 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 55.83 18.19 2.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.995 2.518 . . . . 0.0 115.677 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.5 m -61.32 138.98 58.25 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.34 -0.85 . . . . 0.0 109.271 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.61 134.86 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.686 1.195 . . . . 0.0 110.408 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.3 t -154.53 -169.04 3.1 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.369 2.268 . . . . 0.0 109.382 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -69.76 152.64 44.38 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.012 -1.68 . . . . 0.0 111.746 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.7 1.45 17.08 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.098 0.959 . . . . 0.0 113.505 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.9 p -72.4 147.92 45.73 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.61 1.164 . . . . 0.0 111.335 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -62.19 -29.95 70.73 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.179 -0.95 . . . . 0.0 112.267 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.1 m -66.26 -42.36 88.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.075 0.95 . . . . 0.0 112.123 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.79 -42.32 58.34 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.512 0.725 . . . . 0.0 111.626 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.02 -46.12 79.03 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.625 0.77 . . . . 0.0 112.185 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -61.67 -37.75 85.22 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.577 1.081 . . . . 0.0 111.733 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.66 80.95 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.644 0.656 . . . . 0.0 111.319 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -70.23 -53.04 18.71 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.391 0.677 . . . . 0.0 111.166 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -64.07 -20.07 65.68 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -64.94 -20.23 66.36 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.485 -0.759 . . . . 0.0 112.307 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.7 pt -122.52 -3.98 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.824 1.65 . . . . 0.0 114.082 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.2 t -112.39 130.67 55.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.556 1.542 . . . . 0.0 112.795 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -131.24 8.0 4.65 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.15 1.78 . . . . 0.0 112.756 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.89 -15.18 63.5 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.677 0.791 . . . . 0.0 110.885 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.2 p -49.2 -2.51 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 131.009 3.724 . . . . 0.0 117.756 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -151.17 21.77 0.97 Allowed Glycine 0 CA--C 1.538 1.503 0 C-N-CA 126.03 1.776 . . . . 0.0 113.622 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 125.128 1.371 . . . . 0.0 114.536 -179.49 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.487 1.401 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.82 172.38 42.57 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.656 1.122 . . . . 0.0 112.793 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.2 p -57.91 -24.37 57.45 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 ttt -72.89 -6.75 47.19 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.985 1.314 . . . . 0.0 114.279 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.6 t -86.53 128.54 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.747 1.219 . . . . 0.0 110.498 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.1 t -57.85 139.74 53.45 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.141 1.377 . . . . 0.0 112.818 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -66.39 -11.51 51.91 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.6 t -118.52 -69.44 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 125.098 1.359 . . . . 0.0 112.532 -177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.7 p -72.58 -3.19 23.21 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.4 m80 45.25 38.97 3.79 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.435 1.894 . . . . 0.0 113.848 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -117.75 150.14 39.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.43 2.292 . . . . 0.0 109.534 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -76.59 133.15 39.75 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.354 -0.841 . . . . 0.0 110.229 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.3 p -74.49 173.95 9.64 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.84 0.856 . . . . 0.0 112.207 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -71.02 -41.85 70.32 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.887 -1.133 . . . . 0.0 110.404 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -144.3 152.22 40.48 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.774 1.63 . . . . 0.0 110.966 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.15 -12.4 19.57 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -82.33 -44.06 16.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.739 1.616 . . . . 0.0 111.072 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -73.46 -16.8 61.3 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.4 tp -48.1 -41.21 25.73 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.534 1.934 . . . . 0.0 114.514 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -70.36 -41.0 73.7 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.346 -0.846 . . . . 0.0 111.778 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 t -62.57 -37.59 86.8 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.71 -0.619 . . . . 0.0 110.454 174.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -57.72 -60.77 3.18 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.494 1.518 . . . . 0.0 110.301 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -59.82 -38.88 83.26 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -65.89 -19.84 66.02 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 m -95.04 -43.32 8.19 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.08 0.952 . . . . 0.0 109.926 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.8 m -55.27 -44.08 75.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.567 1.547 . . . . 0.0 112.941 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.6 -19.51 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 124.046 0.938 . . . . 0.0 112.666 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -110.72 7.85 22.33 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.05 2.14 . . . . 0.0 112.528 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.57 22.13 77.83 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.197 1.38 . . . . 0.0 115.213 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -118.46 154.4 32.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.804 1.241 . . . . 0.0 113.847 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.1 t -80.57 137.94 51.29 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.871 1.268 . . . . 0.0 110.518 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.53 -14.39 44.59 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.218 2.612 . . . . 0.0 116.273 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -134.25 -46.35 0.77 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 p -81.08 -5.13 57.28 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.099 1.772 . . . . 0.0 112.116 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.1 mmt 60.22 11.4 2.78 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.698 2.799 . . . . 0.0 115.482 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.3 m -54.45 139.44 37.41 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.933 1.293 . . . . 0.0 110.422 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.8 mt -118.19 138.65 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.431 1.092 . . . . 0.0 110.701 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 t -151.42 -170.61 3.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.993 2.517 . . . . 0.0 108.805 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.41 149.1 50.71 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 119.98 -1.7 . . . . 0.0 110.947 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.95 4.41 5.42 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.2 p -72.99 150.32 42.55 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.694 1.198 . . . . 0.0 111.22 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.05 -35.83 77.98 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.176 -0.952 . . . . 0.0 112.272 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -62.76 -42.18 99.56 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.365 1.066 . . . . 0.0 112.89 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.53 -42.41 67.95 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.307 0.643 . . . . 0.0 111.25 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.59 -37.25 79.67 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.419 0.688 . . . . 0.0 111.926 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -62.84 -41.01 99.18 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.652 -1.28 . . . . 0.0 110.364 174.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.01 89.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.41 0.55 . . . . 0.0 110.995 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -63.86 -57.37 10.06 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.894 0.878 . . . . 0.0 111.231 174.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -65.8 -19.77 66.01 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -64.86 -19.81 66.08 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.537 -0.727 . . . . 0.0 112.367 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.9 pt -123.1 -1.55 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.679 1.592 . . . . 0.0 114.208 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.7 t -118.06 131.36 56.46 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.687 1.595 . . . . 0.0 112.859 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -130.91 1.26 4.31 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.852 1.661 . . . . 0.0 113.72 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.7 mt -65.31 -14.76 61.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.972 0.909 . . . . 0.0 111.88 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.3 p -49.41 -14.52 0.1 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.495 3.118 . . . . 0.0 116.212 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.47 31.54 0.34 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.159 1.837 . . . . 0.0 112.246 176.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.635 1.574 . . . . 0.0 112.431 -176.773 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.9 ttp . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.03 163.45 29.64 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.001 0.81 . . . . 0.0 113.509 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.1 p -69.98 -11.17 60.68 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.7 ttt -119.36 23.33 11.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.189 1.795 . . . . 0.0 112.152 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.6 t -120.15 132.95 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.735 1.614 . . . . 0.0 111.486 -175.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.1 t -63.54 142.37 58.42 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.495 1.118 . . . . 0.0 113.213 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -73.12 -12.13 60.79 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.0 t -117.66 -48.82 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.719 1.208 . . . . 0.0 113.951 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.0 p -104.04 0.72 30.17 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 47.82 27.88 1.22 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.568 1.947 . . . . 0.0 114.47 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -83.36 143.33 30.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.69 1.196 . . . . 0.0 111.081 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -86.46 85.86 7.32 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.488 1.515 . . . . 0.0 109.851 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.4 t -51.75 152.43 2.9 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.372 1.069 . . . . 0.0 113.241 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -53.41 -31.38 44.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.862 1.265 . . . . 0.0 114.014 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.32 157.25 45.46 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.011 1.324 . . . . 0.0 110.574 175.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.29 -11.78 61.1 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -99.29 -40.78 7.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.024 1.33 . . . . 0.0 112.03 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.32 -23.05 67.24 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.899 0.772 . . . . 0.0 110.988 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.0 tp -53.79 -33.28 55.51 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.436 1.895 . . . . 0.0 112.308 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -67.86 -32.24 72.63 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.272 1.029 . . . . 0.0 111.815 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 m -80.31 -36.56 34.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.128 0.971 . . . . 0.0 110.46 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -55.02 -60.26 3.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.234 1.813 . . . . 0.0 110.583 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -54.45 -39.44 67.44 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -70.55 -19.92 62.84 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.169 0.987 . . . . 0.0 113.08 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -92.27 -42.46 9.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.215 1.006 . . . . 0.0 109.996 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.0 m -56.76 -42.96 80.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.585 1.554 . . . . 0.0 113.669 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.5 tt -60.2 -19.37 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.417 0.687 . . . . 0.0 112.409 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -107.45 6.89 28.62 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.065 2.146 . . . . 0.0 112.234 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.37 21.6 76.02 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.655 1.598 . . . . 0.0 115.17 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -119.92 158.51 26.54 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.235 1.414 . . . . 0.0 113.809 -174.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.5 t -85.89 139.02 34.95 Favored Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 125.067 1.347 . . . . 0.0 111.179 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -64.85 -14.34 44.44 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.442 2.761 . . . . 0.0 116.136 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -134.13 -47.53 0.78 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -78.05 -13.24 59.94 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.892 1.678 . . . . 0.0 111.903 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.2 mtt 58.12 15.55 3.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.234 2.614 . . . . 0.0 116.163 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 49.0 m -59.9 145.36 46.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.808 0.843 . . . . 0.0 109.116 172.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.1 mt -119.36 141.7 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.192 0.997 . . . . 0.0 111.44 -177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.5 t -150.52 -170.72 3.73 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 128.297 2.639 . . . . 0.0 109.011 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.04 146.58 54.18 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 119.957 -1.714 . . . . 0.0 111.275 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.19 43.53 0.37 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.853 1.261 . . . . 0.0 113.194 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.4 p -128.15 154.44 45.76 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.006 1.722 . . . . 0.0 112.142 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -57.28 -44.94 84.45 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.1 m -58.01 -38.42 76.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.918 0.887 . . . . 0.0 112.394 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.81 -41.75 22.81 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.276 1.031 . . . . 0.0 113.118 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.4 mt -76.61 -43.05 40.13 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -61.55 -34.81 76.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.336 0.971 . . . . 0.0 111.293 177.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.03 85.16 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.388 0.675 . . . . 0.0 111.698 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.38 -52.73 20.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.508 0.723 . . . . 0.0 110.809 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -64.03 -19.64 65.35 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.0 m -64.42 -20.06 65.92 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.355 -0.841 . . . . 0.0 112.326 173.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.9 pt -122.09 -5.09 8.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 125.739 1.616 . . . . 0.0 114.141 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 14.2 t -111.76 128.76 56.19 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.205 1.402 . . . . 0.0 112.819 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -129.96 7.66 5.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.982 1.713 . . . . 0.0 112.794 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.04 -20.6 64.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.44 0.696 . . . . 0.0 110.241 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.6 p -50.01 -18.29 0.52 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 129.367 3.067 . . . . 0.0 115.157 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.92 23.19 1.78 Allowed Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.767 1.651 . . . . 0.0 113.782 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.377 1.871 . . . . 0.0 112.694 179.037 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 110.726 -0.101 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.81 -28.26 0.31 Allowed Glycine 0 CA--C 1.537 1.468 0 N-CA-C 116.025 1.17 . . . . 0.0 116.025 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.2 p -132.97 -5.48 3.11 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.9 ttt -124.84 33.98 5.09 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.786 1.634 . . . . 0.0 112.439 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.8 t -124.12 128.79 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.006 1.722 . . . . 0.0 110.915 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -61.58 147.45 45.56 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.917 1.287 . . . . 0.0 113.222 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.54 -13.21 61.72 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.018 1.327 . . . . 0.0 114.244 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.78 -70.27 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.344 1.458 . . . . 0.0 112.651 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 p -75.25 -1.95 25.8 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.5 m80 42.98 38.79 1.53 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.59 1.956 . . . . 0.0 113.816 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -119.23 166.09 13.42 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.711 2.404 . . . . 0.0 110.131 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.42 171.35 15.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.444 1.098 . . . . 0.0 112.54 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.5 t -133.3 167.49 20.3 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.113 2.165 . . . . 0.0 108.529 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -57.2 -34.41 68.49 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.869 -1.144 . . . . 0.0 112.257 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -141.3 159.42 42.25 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.314 1.445 . . . . 0.0 111.12 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.85 -11.58 60.87 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 121.488 -0.757 . . . . 0.0 112.936 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -88.01 -46.18 9.56 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.066 1.346 . . . . 0.0 111.003 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -67.29 -16.77 64.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.324 0.65 . . . . 0.0 112.071 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.23 -31.28 63.38 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.748 1.619 . . . . 0.0 112.47 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -66.32 -35.02 79.31 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.308 -0.87 . . . . 0.0 111.594 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 m -76.84 -30.39 56.31 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.145 0.978 . . . . 0.0 110.918 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -59.92 -59.88 4.72 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.802 1.641 . . . . 0.0 110.749 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 45.6 ptt85 -54.09 -42.53 69.48 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -70.54 -19.59 62.88 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 m -86.51 -44.23 12.12 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.791 0.836 . . . . 0.0 108.988 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 77.8 m -55.34 -46.28 76.4 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.926 1.69 . . . . 0.0 113.568 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.8 tp -59.13 -19.56 16.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.123 0.569 . . . . 0.0 112.482 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -107.38 6.41 28.3 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.03 2.132 . . . . 0.0 112.75 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.85 17.24 78.27 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.522 1.534 . . . . 0.0 115.725 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -116.05 153.39 31.77 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.851 1.326 . . . . 0.0 113.201 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.24 139.04 41.92 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.045 0.938 . . . . 0.0 110.384 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -62.82 -16.66 55.02 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.389 2.726 . . . . 0.0 116.252 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -135.58 -37.33 0.76 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -176.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.6 p -85.26 -6.13 59.28 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 121.821 2.1 . . . . 0.0 112.229 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.5 mmt 60.55 4.23 0.7 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 129.048 2.939 . . . . 0.0 116.708 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.7 m -57.66 144.59 37.16 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.298 1.039 . . . . 0.0 110.231 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.2 mt -120.12 136.67 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.634 1.174 . . . . 0.0 110.722 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.5 p -143.1 -173.54 3.94 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.621 2.768 . . . . 0.0 108.781 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.25 147.6 53.09 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 119.919 -1.738 . . . . 0.0 110.438 176.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.41 4.55 3.67 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.042 1.126 . . . . 0.0 114.042 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.5 p -75.41 150.32 38.36 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.918 1.287 . . . . 0.0 111.952 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.07 -41.87 89.01 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.379 -0.825 . . . . 0.0 112.08 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -59.19 -38.14 79.11 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.229 1.012 . . . . 0.0 112.838 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.48 -39.81 31.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.252 0.621 . . . . 0.0 111.685 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 75.0 mt -69.9 -42.96 72.67 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -61.46 -37.91 85.29 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.166 -0.959 . . . . 0.0 111.469 176.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.77 81.35 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.551 0.614 . . . . 0.0 111.461 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -70.86 -54.8 10.17 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.669 0.787 . . . . 0.0 111.33 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -64.24 -19.65 65.52 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.4 m -64.26 -25.48 68.07 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.268 -0.895 . . . . 0.0 111.852 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.7 pt -114.71 -13.31 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.405 1.482 . . . . 0.0 113.652 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 16.3 t -102.66 126.17 49.65 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.97 1.308 . . . . 0.0 112.038 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -131.14 11.36 5.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.316 1.846 . . . . 0.0 111.744 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.9 mt -76.25 -4.65 43.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.552 1.541 . . . . 0.0 112.069 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.8 p -54.03 10.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 131.17 3.788 . . . . 0.0 117.841 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.92 17.75 0.19 Allowed Glycine 0 CA--C 1.541 1.691 0 C-N-CA 126.511 2.005 . . . . 0.0 113.67 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.839 1.656 . . . . 0.0 115.382 -178.268 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 111.242 0.09 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.88 176.92 44.88 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.524 1.059 . . . . 0.0 113.291 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.5 p -58.16 -14.84 7.75 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 30.9 ttm -124.0 18.19 9.27 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.757 1.623 . . . . 0.0 112.883 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.9 t -107.57 131.34 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.241 1.416 . . . . 0.0 110.866 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.6 t -62.78 144.36 56.58 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.868 1.267 . . . . 0.0 114.005 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.11 -19.72 65.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.474 1.91 . . . . 0.0 114.02 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -115.13 -72.55 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 125.317 1.447 . . . . 0.0 112.373 -175.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -68.23 -6.88 26.04 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.1 m80 47.66 32.8 2.69 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.367 1.867 . . . . 0.0 113.812 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -108.26 151.69 25.61 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.759 2.023 . . . . 0.0 109.771 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -75.64 138.3 41.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.469 0.708 . . . . 0.0 111.617 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.6 t -92.21 169.19 10.8 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.671 1.188 . . . . 0.0 111.378 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.35 -41.79 97.62 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.866 -1.147 . . . . 0.0 111.26 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -144.5 168.21 20.68 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.01 1.724 . . . . 0.0 111.833 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.17 -13.35 61.15 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.448 -0.782 . . . . 0.0 112.954 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -89.7 -44.87 9.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.144 1.377 . . . . 0.0 111.003 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.32 -23.06 67.16 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.11 0.964 . . . . 0.0 111.572 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.6 tp -53.51 -34.81 59.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.186 1.794 . . . . 0.0 112.832 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -66.37 -31.62 72.51 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.744 0.818 . . . . 0.0 112.029 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -80.12 -38.17 32.09 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.913 0.885 . . . . 0.0 110.448 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -56.44 -58.28 8.68 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.559 1.543 . . . . 0.0 110.871 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.75 -40.24 69.13 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -72.73 -24.95 61.04 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.141 0.976 . . . . 0.0 113.178 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 m -85.16 -43.59 13.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.59 0.756 . . . . 0.0 110.497 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.0 -44.23 87.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.401 1.481 . . . . 0.0 114.03 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -21.48 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 121.478 -0.764 . . . . 0.0 112.504 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -103.67 6.57 37.11 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.828 2.051 . . . . 0.0 113.055 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.72 21.46 77.92 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.256 1.408 . . . . 0.0 115.612 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -118.58 154.31 32.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.825 1.313 . . . . 0.0 113.943 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 39.0 t -80.0 136.71 53.93 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.95 1.3 . . . . 0.0 110.543 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.21 -13.08 38.3 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.111 2.541 . . . . 0.0 116.343 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -135.21 -45.09 0.7 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.5 p -81.37 -5.98 58.43 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 121.186 1.812 . . . . 0.0 112.011 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.5 mmt 61.12 10.57 2.98 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.79 2.836 . . . . 0.0 115.605 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.8 m -55.91 141.55 38.88 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.809 1.244 . . . . 0.0 110.507 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.0 mt -120.29 140.24 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.575 1.15 . . . . 0.0 110.878 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.0 t -150.82 -169.71 3.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.857 2.463 . . . . 0.0 108.91 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.13 149.49 50.46 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.057 -1.652 . . . . 0.0 110.976 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.95 3.24 7.06 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.3 p -71.26 150.73 44.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.14 0.976 . . . . 0.0 110.901 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.36 -34.34 76.49 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.151 -0.968 . . . . 0.0 112.173 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.4 m -64.9 -42.78 94.48 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.096 0.958 . . . . 0.0 112.786 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.96 72.74 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.099 0.56 . . . . 0.0 111.294 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.6 mt -67.48 -38.45 84.41 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.331 0.652 . . . . 0.0 111.447 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -63.01 -39.36 94.54 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.704 -1.248 . . . . 0.0 110.595 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.59 93.06 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.776 0.717 . . . . 0.0 110.866 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -62.09 -56.69 16.37 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.852 0.861 . . . . 0.0 110.989 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -66.07 -19.74 65.94 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.893 -1.129 . . . . 0.0 113.968 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.3 m -65.77 -19.98 66.09 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.375 -0.828 . . . . 0.0 112.208 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.4 pt -121.51 -0.91 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.871 1.668 . . . . 0.0 114.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.1 t -119.81 129.38 54.41 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.865 1.666 . . . . 0.0 112.724 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.52 9.09 4.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.064 1.746 . . . . 0.0 112.794 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.11 -5.97 53.24 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.278 1.431 . . . . 0.0 112.349 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.0 p -53.55 1.6 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 130.49 3.516 . . . . 0.0 117.598 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.21 29.82 0.23 Allowed Glycine 0 CA--C 1.537 1.411 0 C-N-CA 126.928 2.204 . . . . 0.0 112.091 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.325 1.85 . . . . 0.0 114.8 -178.684 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 110.669 -0.122 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.87 -15.34 63.24 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.836 1.208 . . . . 0.0 115.603 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 p -81.32 -30.54 33.85 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.522 1.529 . . . . 0.0 114.304 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.47 2.92 3.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.06 1.744 . . . . 0.0 112.071 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.29 139.08 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.688 1.995 . . . . 0.0 109.47 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.3 t -60.14 144.65 49.32 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.551 1.14 . . . . 0.0 113.533 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -75.38 -13.47 60.4 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.723 1.209 . . . . 0.0 113.928 177.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.9 t -114.24 -61.21 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.221 1.408 . . . . 0.0 113.237 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 p -86.03 -0.95 56.82 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 44.71 38.31 2.72 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.49 1.916 . . . . 0.0 113.544 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -114.21 158.74 20.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.861 2.064 . . . . 0.0 110.987 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -75.49 160.07 30.6 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.83 1.252 . . . . 0.0 112.155 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.9 t -132.97 164.59 26.63 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.502 1.921 . . . . 0.0 109.481 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.24 -36.17 79.24 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.756 -1.215 . . . . 0.0 113.501 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -141.46 161.46 37.85 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.384 1.074 . . . . 0.0 112.163 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.23 -16.63 63.07 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.633 0.773 . . . . 0.0 113.031 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -85.84 -46.41 10.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.728 1.211 . . . . 0.0 111.081 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -66.12 -19.0 65.71 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.242 0.617 . . . . 0.0 112.287 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 tp -56.98 -29.71 63.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.069 1.748 . . . . 0.0 112.928 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -71.18 -44.25 65.83 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.714 0.805 . . . . 0.0 110.32 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.7 m -63.47 -35.65 81.16 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.573 -0.704 . . . . 0.0 110.741 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -59.13 -60.68 3.47 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.362 1.465 . . . . 0.0 110.268 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -59.51 -37.69 78.97 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -65.42 -19.61 66.01 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.76 0.824 . . . . 0.0 113.068 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 m -96.23 -42.43 8.19 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.349 1.06 . . . . 0.0 110.088 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.7 m -55.95 -41.48 74.73 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.704 1.602 . . . . 0.0 113.38 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.8 tp -58.43 -19.51 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.839 0.856 . . . . 0.0 112.5 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -111.13 8.4 21.71 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.044 2.138 . . . . 0.0 112.507 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.19 25.74 75.19 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.22 1.391 . . . . 0.0 114.81 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -121.62 152.71 39.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.209 1.404 . . . . 0.0 113.601 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -84.13 137.61 40.01 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 124.169 0.988 . . . . 0.0 110.333 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -61.66 -18.22 58.97 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.471 2.781 . . . . 0.0 116.527 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -136.19 -38.35 0.69 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 118.016 2.598 . . . . 0.0 118.016 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.2 p -81.88 -6.25 58.94 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 121.497 1.953 . . . . 0.0 112.262 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.4 mmt 57.68 18.35 4.69 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.386 2.674 . . . . 0.0 115.561 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.8 m -63.88 143.68 57.67 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 173.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.6 mt -124.89 138.47 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.658 1.183 . . . . 0.0 110.41 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.9 t -152.49 -167.51 2.77 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.95 2.5 . . . . 0.0 109.119 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.13 150.3 48.53 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.057 -1.652 . . . . 0.0 111.246 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.81 3.09 8.66 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.4 p -72.42 151.37 42.64 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.622 1.169 . . . . 0.0 111.627 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -62.25 -36.21 81.34 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.145 -0.972 . . . . 0.0 112.0 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.9 m -62.87 -41.22 99.3 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.213 1.005 . . . . 0.0 112.844 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.1 -42.53 59.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.272 0.629 . . . . 0.0 111.687 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.37 -43.01 78.31 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.533 0.733 . . . . 0.0 112.611 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.43 -39.03 86.0 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.533 1.06 . . . . 0.0 111.382 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.13 79.48 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.44 0.564 . . . . 0.0 111.695 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -71.82 -53.64 12.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.538 0.735 . . . . 0.0 111.49 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -63.56 -19.8 65.11 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m -64.18 -19.94 65.67 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.623 -0.673 . . . . 0.0 112.497 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 pt -123.07 -1.22 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.644 1.577 . . . . 0.0 114.53 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 14.5 t -113.03 135.44 53.78 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.52 1.528 . . . . 0.0 112.46 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 6.11 4.0 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.918 1.687 . . . . 0.0 113.543 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.28 -9.47 58.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.758 0.823 . . . . 0.0 112.002 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 41.7 p -49.6 -18.15 0.4 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 128.864 2.866 . . . . 0.0 116.767 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.15 26.61 2.31 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.404 1.478 . . . . 0.0 113.308 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.998 1.719 . . . . 0.0 115.183 -179.082 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.1 tpp . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.21 -36.1 0.52 Allowed Glycine 0 N--CA 1.477 1.369 0 N-CA-C 115.401 0.92 . . . . 0.0 115.401 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.5 p -56.33 -27.76 56.78 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 ttt -127.34 31.03 5.28 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.284 1.834 . . . . 0.0 111.371 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.4 t -121.09 140.06 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.909 1.284 . . . . 0.0 112.591 -174.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.74 161.18 28.91 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.29 1.836 . . . . 0.0 113.362 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -85.06 -14.67 46.52 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.3 t -122.83 -62.08 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.268 1.027 . . . . 0.0 113.381 -174.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p -85.78 -0.46 55.31 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 44.7 30.09 0.49 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.346 2.258 . . . . 0.0 114.162 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -77.61 159.89 28.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.985 1.714 . . . . 0.0 111.323 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -108.89 90.39 3.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.712 1.605 . . . . 0.0 108.541 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.0 t -55.72 158.7 3.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.498 1.119 . . . . 0.0 112.817 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -54.41 -31.78 55.85 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.708 1.203 . . . . 0.0 113.747 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -141.36 158.08 44.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.401 1.48 . . . . 0.0 110.601 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.95 -10.77 60.16 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -90.79 -46.85 7.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.114 1.766 . . . . 0.0 110.931 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -27.37 69.0 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.731 1.213 . . . . 0.0 110.972 176.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.62 -33.45 64.01 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.018 1.727 . . . . 0.0 112.719 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.53 -33.29 75.34 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.503 -0.748 . . . . 0.0 111.514 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.4 m -78.63 -36.56 43.85 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.515 0.726 . . . . 0.0 110.169 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -54.58 -60.05 3.88 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.769 1.628 . . . . 0.0 110.663 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -58.0 -29.89 65.63 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -80.07 -23.12 41.56 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.068 0.947 . . . . 0.0 112.862 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 m -87.74 -39.2 15.14 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.11 0.964 . . . . 0.0 111.132 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.5 m -56.29 -44.95 80.32 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.34 1.456 . . . . 0.0 113.94 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -22.52 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.792 0.837 . . . . 0.0 112.021 177.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -101.38 6.4 42.6 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.488 1.915 . . . . 0.0 112.659 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.04 26.46 72.37 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.426 1.489 . . . . 0.0 114.587 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -122.51 154.7 37.51 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.287 1.435 . . . . 0.0 113.492 -174.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.0 t -83.38 137.5 42.18 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.632 1.173 . . . . 0.0 110.398 173.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.93 -14.7 44.68 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.197 2.598 . . . . 0.0 116.173 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -133.4 -45.34 0.83 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -177.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 p -82.33 -9.52 59.44 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 121.247 1.839 . . . . 0.0 111.941 176.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 56.0 mtt 57.54 23.46 9.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.717 2.407 . . . . 0.0 114.986 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.3 m -60.67 143.29 54.48 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.3 mt -121.89 138.23 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.283 1.033 . . . . 0.0 110.536 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.5 t -153.17 -170.46 3.62 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.449 2.3 . . . . 0.0 109.562 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.5 142.46 58.13 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.206 -1.559 . . . . 0.0 111.103 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.59 46.17 0.53 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.703 1.201 . . . . 0.0 112.775 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 39.6 p -125.1 152.09 44.85 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.01 1.724 . . . . 0.0 111.736 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -57.22 -42.54 81.55 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.55 0.74 . . . . 0.0 112.583 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 m -58.5 -40.1 81.88 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.819 0.848 . . . . 0.0 112.751 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.31 -38.7 30.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.963 0.905 . . . . 0.0 112.938 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.1 mt -76.65 -39.46 52.2 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.512 -0.742 . . . . 0.0 112.489 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -62.28 -36.94 83.65 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.888 1.222 . . . . 0.0 110.366 174.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.88 99.26 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.336 0.517 . . . . 0.0 110.894 174.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -60.42 -56.52 20.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.792 0.837 . . . . 0.0 110.894 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -66.46 -19.77 65.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -64.95 -20.34 66.42 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.357 -0.84 . . . . 0.0 112.286 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.4 pt -121.89 -1.64 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.823 1.649 . . . . 0.0 113.93 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.7 t -119.35 122.04 40.92 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.643 1.577 . . . . 0.0 113.097 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -126.33 5.52 7.0 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.246 1.818 . . . . 0.0 112.385 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 99.3 mt -66.56 -13.57 61.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.462 1.105 . . . . 0.0 111.215 172.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.2 p -55.24 -11.9 0.86 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 128.943 2.897 . . . . 0.0 114.801 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.99 26.62 2.34 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 126.087 1.803 . . . . 0.0 113.253 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.192 1.397 . . . . 0.0 114.509 -179.756 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.223 0.059 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.21 -32.11 0.4 Allowed Glycine 0 CA--C 1.536 1.393 0 N-CA-C 115.385 0.914 . . . . 0.0 115.385 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.9 p -130.72 -4.09 4.13 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.6 ttp -125.54 43.58 3.02 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.287 1.835 . . . . 0.0 110.606 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.3 t -110.71 134.66 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 127.148 2.179 . . . . 0.0 110.919 -175.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.38 141.56 56.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.996 1.319 . . . . 0.0 113.339 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -69.83 -12.29 61.51 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.77 -73.17 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.203 1.401 . . . . 0.0 111.846 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 p -70.49 -5.19 26.95 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.2 m80 47.61 36.95 5.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.982 1.713 . . . . 0.0 113.997 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -113.83 150.72 33.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.964 2.105 . . . . 0.0 110.207 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.33 140.44 54.31 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.745 0.818 . . . . 0.0 111.197 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 t -96.59 171.89 8.26 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.836 0.855 . . . . 0.0 111.843 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -71.72 -38.79 70.46 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.796 -1.19 . . . . 0.0 112.332 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -145.51 164.63 31.02 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.135 1.374 . . . . 0.0 111.755 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.3 -14.05 62.42 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.36 -45.18 9.18 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.425 1.49 . . . . 0.0 110.848 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -67.33 -20.55 65.61 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.119 0.568 . . . . 0.0 112.193 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.9 tp -52.48 -36.72 55.63 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.26 1.824 . . . . 0.0 113.046 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.72 -46.32 72.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.291 1.036 . . . . 0.0 110.988 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 m -63.98 -34.95 79.14 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.46 -0.775 . . . . 0.0 111.155 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -60.76 -60.33 3.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.365 1.466 . . . . 0.0 110.445 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -57.95 -38.6 76.28 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -70.01 -19.75 63.31 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 m -88.14 -46.24 9.45 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.531 -0.73 . . . . 0.0 109.471 174.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.0 m -54.61 -45.82 73.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.851 1.66 . . . . 0.0 113.651 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.6 tp -58.19 -19.56 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.813 0.845 . . . . 0.0 112.559 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -110.23 5.57 21.91 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.904 2.082 . . . . 0.0 113.036 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.26 11.37 85.01 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.842 1.211 . . . . 0.0 115.576 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -106.49 159.86 15.84 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.793 1.297 . . . . 0.0 112.638 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 48.2 t -107.26 131.32 21.8 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 126.371 1.869 . . . . 0.0 110.9 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -57.74 154.61 36.44 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.467 2.111 . . . . 0.0 112.756 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 51.5 -24.8 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 120.109 3.374 . . . . 0.0 120.109 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.96 -15.48 18.29 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 121.009 1.731 . . . . 0.0 111.341 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 mpt? 59.39 11.21 2.11 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.734 2.814 . . . . 0.0 116.377 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 95.0 m -57.7 142.57 44.72 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.598 1.09 . . . . 0.0 110.466 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.0 mt -122.65 140.6 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.504 1.122 . . . . 0.0 111.287 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.0 t -150.35 -168.82 3.21 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.142 2.577 . . . . 0.0 109.034 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.19 148.78 51.34 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 119.995 -1.691 . . . . 0.0 110.975 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.01 4.42 5.47 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.7 p -75.03 145.24 42.58 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.694 1.198 . . . . 0.0 111.057 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -40.32 72.3 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.275 -0.89 . . . . 0.0 113.396 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 56.3 m -63.52 -41.44 98.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.678 1.191 . . . . 0.0 112.723 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.68 -40.76 69.38 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.125 0.57 . . . . 0.0 111.439 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.26 -46.03 78.51 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.603 0.761 . . . . 0.0 111.495 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -57.9 -40.07 79.42 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.812 0.845 . . . . 0.0 111.684 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.47 71.02 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.363 0.528 . . . . 0.0 111.976 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -77.7 -51.39 10.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.979 0.511 . . . . 0.0 111.319 175.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.55 -20.96 65.19 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -62.76 -21.33 65.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.695 0.798 . . . . 0.0 112.406 173.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.31 -1.33 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 126.152 1.781 . . . . 0.0 114.089 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.2 t -120.31 130.44 54.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.228 1.411 . . . . 0.0 113.839 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -132.89 6.69 3.98 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.221 1.808 . . . . 0.0 112.859 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.95 -18.97 64.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.076 0.951 . . . . 0.0 111.047 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.3 p -44.98 -23.37 0.14 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 129.687 3.195 . . . . 0.0 116.178 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.94 31.76 1.32 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.618 1.58 . . . . 0.0 112.916 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 125.335 1.454 . . . . 0.0 112.369 -177.483 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -158.11 179.7 33.62 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.547 1.07 . . . . 0.0 113.314 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.7 p -54.86 -21.46 11.49 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.6 ttt -90.61 1.29 56.91 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.672 1.189 . . . . 0.0 113.419 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 63.7 t -99.94 131.43 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.011 1.324 . . . . 0.0 110.746 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.59 146.31 52.27 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.585 1.554 . . . . 0.0 113.588 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -70.8 -16.0 62.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.11 1.364 . . . . 0.0 114.66 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -112.96 -73.58 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.019 1.328 . . . . 0.0 112.153 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.5 p -70.55 -3.98 20.74 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.8 m80 45.71 39.5 5.19 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.435 1.894 . . . . 0.0 113.501 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -121.72 168.3 11.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.462 2.305 . . . . 0.0 110.796 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -86.79 167.96 13.93 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.829 1.252 . . . . 0.0 111.559 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.8 t -128.8 171.62 12.08 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.136 1.775 . . . . 0.0 110.075 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -54.98 -38.78 68.27 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.128 -0.982 . . . . 0.0 112.144 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.74 162.99 34.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.736 1.614 . . . . 0.0 110.555 175.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.48 -11.77 61.1 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -94.14 -43.64 8.38 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.5 1.52 . . . . 0.0 111.102 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.62 -20.72 65.9 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.338 0.655 . . . . 0.0 111.529 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.0 tp -54.34 -30.24 50.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.559 1.943 . . . . 0.0 112.856 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.88 -37.64 88.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.741 0.817 . . . . 0.0 111.416 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -73.86 -35.97 64.8 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.119 -0.988 . . . . 0.0 110.144 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -57.26 -60.21 3.96 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.254 1.422 . . . . 0.0 111.066 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -57.78 -37.51 73.85 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.9 -22.02 62.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.244 0.617 . . . . 0.0 112.449 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 m -84.92 -46.22 11.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.469 0.708 . . . . 0.0 109.625 174.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.0 m -51.8 -47.73 64.15 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.431 1.492 . . . . 0.0 113.946 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.9 tp -59.06 -19.31 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 124.119 0.968 . . . . 0.0 112.675 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -111.11 6.59 20.92 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 127.168 2.187 . . . . 0.0 112.843 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.11 13.7 82.49 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.77 1.176 . . . . 0.0 114.906 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -99.5 157.35 16.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.808 1.643 . . . . 0.0 112.325 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 42.7 t -104.75 133.74 20.01 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.832 1.653 . . . . 0.0 108.647 171.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -64.87 155.42 67.81 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 121.806 1.671 . . . . 0.0 111.426 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 50.73 -6.71 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 p -120.62 -14.92 8.55 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.843 1.657 . . . . 0.0 111.893 173.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 54.4 21.88 3.49 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.409 2.684 . . . . 0.0 116.144 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.8 m -63.94 140.17 58.84 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.055 -1.028 . . . . 0.0 108.905 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.9 mm -111.43 134.68 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.215 1.006 . . . . 0.0 111.163 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.2 p -145.49 -175.15 4.61 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.722 2.809 . . . . 0.0 109.044 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -69.78 145.99 51.77 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 119.975 -1.703 . . . . 0.0 111.007 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.11 40.45 0.21 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.696 1.599 . . . . 0.0 114.011 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.9 p -122.58 148.92 44.65 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.206 1.802 . . . . 0.0 110.801 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -57.4 -38.12 73.79 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.098 -1.001 . . . . 0.0 113.074 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m -61.23 -39.86 91.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.981 0.912 . . . . 0.0 112.877 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.32 -42.75 22.42 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.713 0.805 . . . . 0.0 112.38 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.23 -46.43 77.23 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.063 0.945 . . . . 0.0 112.049 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -58.96 -36.75 75.35 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.1 -1.0 . . . . 0.0 112.584 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.43 71.25 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.853 -0.529 . . . . 0.0 112.02 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -75.07 -48.03 25.91 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.8 -0.563 . . . . 0.0 111.03 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -62.8 -20.44 65.03 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.969 -1.082 . . . . 0.0 113.579 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.8 m -64.24 -19.97 65.73 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.487 0.715 . . . . 0.0 112.276 174.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.1 pt -126.27 -5.79 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 126.14 1.776 . . . . 0.0 114.101 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 19.5 t -107.39 133.48 51.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.432 1.493 . . . . 0.0 113.341 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -128.17 -2.36 5.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.082 2.153 . . . . 0.0 113.377 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.95 -7.54 53.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.04 1.336 . . . . 0.0 113.334 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.5 p -50.41 -18.04 0.57 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.37 2.268 . . . . 0.0 116.187 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.22 34.56 1.4 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.395 1.95 . . . . 0.0 112.165 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.724 2.009 . . . . 0.0 115.176 -178.753 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.699 0.285 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.21 -179.7 40.82 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.327 1.441 . . . . 0.0 112.098 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.2 p -53.91 -29.61 42.79 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 tpt -65.17 -11.17 37.57 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.268 1.827 . . . . 0.0 114.416 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.8 t -91.31 129.61 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.422 1.489 . . . . 0.0 110.551 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.99 143.58 42.68 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.884 1.274 . . . . 0.0 113.7 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.32 -16.47 63.56 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.359 1.464 . . . . 0.0 114.601 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -116.09 -58.71 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.113 1.365 . . . . 0.0 113.592 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.2 p -84.23 0.35 49.18 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 41.48 40.31 1.28 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.658 1.983 . . . . 0.0 114.25 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -116.52 147.74 41.49 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.272 2.229 . . . . 0.0 109.458 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.74 129.14 38.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.376 -0.827 . . . . 0.0 110.156 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.5 t -74.44 163.54 27.65 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.35 -45.55 93.06 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.392 1.077 . . . . 0.0 111.371 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.77 165.49 28.67 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.619 1.568 . . . . 0.0 111.522 177.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.93 -18.04 64.64 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -83.67 -43.62 15.37 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.778 1.631 . . . . 0.0 111.057 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -72.44 -17.84 61.75 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.4 tp -43.03 -50.21 5.99 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.823 2.449 . . . . 0.0 115.383 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -73.98 -40.25 63.12 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.476 -0.765 . . . . 0.0 111.899 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.9 m -59.61 -32.61 70.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.305 0.642 . . . . 0.0 111.529 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -61.83 -60.24 3.95 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.985 1.314 . . . . 0.0 111.072 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -57.94 -35.38 71.03 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.83 -20.19 65.61 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.26 1.024 . . . . 0.0 113.484 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.8 m -102.2 -36.18 8.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.945 0.898 . . . . 0.0 110.863 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 79.0 m -55.51 -45.12 77.13 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.54 1.136 . . . . 0.0 112.393 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.63 -19.44 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 124.363 1.065 . . . . 0.0 112.915 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -110.17 5.96 22.34 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 127.065 2.146 . . . . 0.0 112.973 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.84 26.21 74.66 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.778 1.18 . . . . 0.0 114.738 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -120.64 146.27 46.57 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.384 1.474 . . . . 0.0 113.408 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.5 t -76.84 134.81 68.21 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-O 118.74 -0.648 . . . . 0.0 109.563 172.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.53 -12.69 36.19 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.073 2.516 . . . . 0.0 116.006 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -136.43 -43.39 0.62 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.44 -6.4 59.27 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 121.226 1.83 . . . . 0.0 112.305 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.8 mmt 59.09 18.67 6.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.394 2.678 . . . . 0.0 115.365 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 m -58.11 138.28 56.24 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.677 0.791 . . . . 0.0 109.742 174.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.6 mm -113.22 135.13 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.939 1.296 . . . . 0.0 110.723 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.7 t -156.8 -168.9 2.8 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.083 2.153 . . . . 0.0 109.339 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -69.63 153.65 43.13 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.164 -1.585 . . . . 0.0 111.661 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.67 4.61 9.1 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.948 0.899 . . . . 0.0 113.323 177.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.2 p -78.37 153.12 31.89 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.172 1.389 . . . . 0.0 112.713 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.94 -43.04 95.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.778 0.831 . . . . 0.0 112.013 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m -59.13 -36.18 74.77 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.822 0.849 . . . . 0.0 112.705 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.22 -41.29 25.42 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.682 0.793 . . . . 0.0 112.218 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.45 -38.59 62.94 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -63.32 -40.82 98.39 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.584 -1.322 . . . . 0.0 110.629 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.0 75.04 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.045 0.538 . . . . 0.0 111.461 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -65.76 -56.83 9.93 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.928 0.891 . . . . 0.0 111.191 174.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -66.19 -20.66 66.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -64.39 -19.73 65.68 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.168 -0.958 . . . . 0.0 112.453 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.7 pt -121.83 -2.02 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.59 1.556 . . . . 0.0 114.206 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.5 t -118.12 125.33 50.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.558 1.543 . . . . 0.0 112.744 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -130.76 16.15 5.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.236 1.814 . . . . 0.0 112.2 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.15 -12.18 59.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.135 1.374 . . . . 0.0 110.874 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 p -55.29 0.59 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 130.53 3.532 . . . . 0.0 117.418 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.18 28.83 0.89 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.073 1.797 . . . . 0.0 112.807 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.094 1.358 . . . . 0.0 112.691 -177.765 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 53.5 ttp . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -166.87 -175.76 37.29 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.475 1.036 . . . . 0.0 113.182 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.0 p -57.42 -19.61 24.71 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.5 ttt -83.73 4.72 27.58 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.16 1.384 . . . . 0.0 113.441 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.2 t -103.26 133.44 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.303 1.441 . . . . 0.0 111.495 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -63.73 144.98 56.6 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.624 1.57 . . . . 0.0 113.235 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -70.2 -12.0 61.29 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -116.02 -71.51 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 124.812 1.245 . . . . 0.0 112.199 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 p -72.7 -2.16 19.15 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.2 m80 43.33 40.19 2.46 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.477 1.911 . . . . 0.0 113.564 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -123.05 164.55 18.38 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.785 2.434 . . . . 0.0 110.46 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.43 173.68 12.36 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.803 1.241 . . . . 0.0 112.222 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.6 t -132.88 164.19 27.46 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.349 1.86 . . . . 0.0 109.181 176.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -55.38 -32.05 62.29 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.253 -0.904 . . . . 0.0 112.317 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.24 158.1 44.1 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.447 1.499 . . . . 0.0 110.769 174.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.72 -11.09 60.48 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -90.78 -45.28 8.91 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.491 1.516 . . . . 0.0 111.198 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -66.44 -17.13 64.61 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.342 0.657 . . . . 0.0 112.089 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.2 tp -55.15 -31.91 61.69 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.99 1.716 . . . . 0.0 112.693 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.97 -34.56 76.79 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.113 -0.992 . . . . 0.0 111.708 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 m -75.25 -33.64 61.33 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.361 -0.837 . . . . 0.0 110.054 173.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -56.09 -59.4 4.98 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.568 1.547 . . . . 0.0 110.288 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -56.69 -38.81 72.76 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -69.51 -19.9 63.72 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.747 0.819 . . . . 0.0 112.872 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -91.19 -43.03 10.1 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.159 0.984 . . . . 0.0 109.699 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.6 m -55.21 -45.6 75.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.851 1.66 . . . . 0.0 113.355 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.9 tp -59.03 -19.46 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.653 0.781 . . . . 0.0 112.346 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -110.6 7.24 22.34 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.269 2.228 . . . . 0.0 112.599 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.36 20.62 78.35 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.577 1.56 . . . . 0.0 115.761 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -117.53 158.02 25.29 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.349 1.575 . . . . 0.0 113.641 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.9 t -89.96 137.01 28.39 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 125.126 1.37 . . . . 0.0 110.56 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.55 -13.94 42.35 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.432 2.755 . . . . 0.0 116.644 -177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -132.26 -42.61 0.97 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -176.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.4 p -84.02 -6.2 59.37 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 121.153 1.797 . . . . 0.0 112.158 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.38 7.32 1.26 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.746 2.818 . . . . 0.0 115.918 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 56.6 m -57.91 144.72 38.1 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.598 1.159 . . . . 0.0 110.477 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.5 mt -121.75 138.21 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.552 1.141 . . . . 0.0 110.814 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.2 p -142.22 -174.27 4.06 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.948 2.899 . . . . 0.0 108.715 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 mp0 -65.62 150.48 48.37 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.174 -1.579 . . . . 0.0 109.256 172.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.31 7.18 3.68 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.7 p -78.52 151.06 32.74 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.923 1.289 . . . . 0.0 112.205 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.35 -41.68 89.76 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.321 -0.862 . . . . 0.0 112.215 178.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.4 m -59.41 -38.12 79.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.265 1.026 . . . . 0.0 112.701 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.04 -39.66 29.38 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.521 0.728 . . . . 0.0 112.068 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.4 mt -72.33 -43.04 64.7 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -59.22 -40.94 87.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.617 1.098 . . . . 0.0 111.323 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.39 71.26 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.048 0.539 . . . . 0.0 111.928 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.05 -43.73 42.49 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.383 0.673 . . . . 0.0 112.385 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -68.98 -19.57 64.16 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.109 -1.619 . . . . 0.0 112.814 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.3 m -73.25 -19.45 61.06 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.306 -0.872 . . . . 0.0 110.412 169.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -95.9 -30.48 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 128.949 2.9 . . . . 0.0 111.804 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.6 t -114.24 141.31 47.72 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.169 1.787 . . . . 0.0 114.911 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -139.01 7.24 2.44 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.58 1.952 . . . . 0.0 112.57 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 99.4 mt -75.62 -5.97 48.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.955 1.302 . . . . 0.0 112.816 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 64.0 p -55.5 5.11 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 129.921 3.289 . . . . 0.0 117.57 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.74 28.29 0.19 Allowed Glycine 0 CA--C 1.535 1.321 0 C-N-CA 126.491 1.996 . . . . 0.0 112.48 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.63 1.572 . . . . 0.0 114.662 -178.938 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.68 -40.63 0.86 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.029 0.823 . . . . 0.0 115.026 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.9 p -60.4 -23.93 64.75 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.1 ttt -125.92 28.49 6.12 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.203 1.801 . . . . 0.0 111.734 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.3 t -125.38 138.55 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.398 1.479 . . . . 0.0 111.066 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.41 150.66 21.78 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.421 1.488 . . . . 0.0 114.085 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.25 -14.26 57.63 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.649 1.18 . . . . 0.0 113.898 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.85 -65.53 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.984 1.314 . . . . 0.0 113.13 -177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.64 -9.19 59.6 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.309 1.4 t60 49.94 38.16 15.58 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.412 1.885 . . . . 0.0 114.771 -177.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -109.78 160.22 16.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.526 1.93 . . . . 0.0 110.645 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -75.73 160.23 30.25 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.61 1.164 . . . . 0.0 111.612 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.1 t -129.11 165.84 20.47 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.539 1.535 . . . . 0.0 111.061 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -53.43 -43.75 68.27 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.243 1.417 . . . . 0.0 113.013 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 p -143.8 165.28 28.13 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.126 1.37 . . . . 0.0 111.318 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.47 -14.31 62.91 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -90.19 -45.2 9.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.352 1.461 . . . . 0.0 110.512 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -66.43 -17.63 64.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.526 0.731 . . . . 0.0 111.878 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.24 -34.14 68.28 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.872 1.669 . . . . 0.0 112.554 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.92 -45.39 82.04 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.362 0.665 . . . . 0.0 110.209 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.1 m -62.02 -31.21 71.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.656 1.182 . . . . 0.0 111.591 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -68.02 -60.61 2.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.064 1.346 . . . . 0.0 110.497 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -59.64 -39.84 85.69 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -68.2 -19.62 64.78 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.062 0.846 . . . . 0.0 113.008 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 m -87.15 -46.41 9.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.526 0.73 . . . . 0.0 109.825 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 93.2 m -53.11 -44.52 67.7 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.173 1.389 . . . . 0.0 113.832 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.9 tp -58.93 -19.56 15.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.823 0.849 . . . . 0.0 112.733 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -113.2 7.26 17.8 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.966 2.107 . . . . 0.0 112.742 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.57 8.7 84.37 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.353 1.454 . . . . 0.0 115.987 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -90.82 153.84 19.94 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.699 1.599 . . . . 0.0 111.897 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 52.8 t -107.61 131.39 21.76 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.516 1.926 . . . . 0.0 108.688 171.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -64.32 155.86 63.23 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.128 1.885 . . . . 0.0 111.755 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 53.42 -40.85 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 130.224 3.41 . . . . 0.0 119.249 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -84.93 -13.62 50.23 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 121.781 2.082 . . . . 0.0 111.914 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.3 mmt 57.42 24.59 10.35 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.787 2.835 . . . . 0.0 116.657 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.2 m -66.1 147.1 53.85 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.308 -0.87 . . . . 0.0 109.374 173.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.0 mt -131.7 139.38 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.385 1.074 . . . . 0.0 110.256 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.4 t -148.33 -167.73 2.89 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.744 1.618 . . . . 0.0 112.607 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -53.63 -8.08 0.14 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 129.812 3.245 . . . . 0.0 118.982 -174.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 65.82 8.63 5.43 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.2 p -90.45 150.55 21.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.356 1.062 . . . . 0.0 110.308 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.74 -32.12 67.13 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.931 -1.105 . . . . 0.0 112.807 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -68.23 -44.98 74.5 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.089 0.956 . . . . 0.0 111.848 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.68 78.93 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.226 0.61 . . . . 0.0 111.965 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.23 -48.11 58.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -59.9 -37.0 78.15 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.341 0.973 . . . . 0.0 111.849 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.15 -35.42 77.06 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.536 0.607 . . . . 0.0 111.699 175.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -72.71 -49.1 33.45 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.775 -0.578 . . . . 0.0 110.982 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -63.35 -19.85 65.0 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.3 m -63.45 -20.98 66.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.466 0.706 . . . . 0.0 111.978 172.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.4 pt -123.58 -5.0 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 C-N-CA 126.409 1.884 . . . . 0.0 114.017 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 15.5 t -116.67 125.13 51.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.485 1.514 . . . . 0.0 114.309 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -128.78 11.79 6.19 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.716 1.606 . . . . 0.0 112.965 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.0 mp -75.34 -8.89 57.86 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.857 1.263 . . . . 0.0 111.37 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.4 p -47.05 -16.34 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 130.387 3.475 . . . . 0.0 117.96 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.26 32.65 1.96 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.717 1.627 . . . . 0.0 112.58 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.346 0 CA-C-O 115.895 -2.002 . . . . 0.0 115.727 -178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 110.725 -0.102 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.01 166.42 33.36 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.313 0.959 . . . . 0.0 113.416 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.1 p -65.82 -10.81 41.15 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt -105.93 14.13 28.42 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.9 2.08 . . . . 0.0 112.087 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 t -126.46 137.94 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.167 1.387 . . . . 0.0 111.53 -175.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.64 151.12 25.55 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.75 1.62 . . . . 0.0 114.085 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -83.29 -9.34 59.16 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.735 1.214 . . . . 0.0 114.079 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -116.71 -60.82 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.996 1.318 . . . . 0.0 113.348 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.0 p -86.38 -7.23 58.62 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.324 1.8 t60 47.71 39.96 11.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.395 1.878 . . . . 0.0 115.308 -176.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -114.5 160.35 19.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.571 1.948 . . . . 0.0 110.389 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.7 170.5 16.56 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.554 1.142 . . . . 0.0 112.539 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.3 t -134.78 169.82 16.78 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.963 1.705 . . . . 0.0 110.786 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -55.6 -40.65 72.35 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.75 1.22 . . . . 0.0 112.302 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 p -142.59 164.31 30.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.621 1.568 . . . . 0.0 111.358 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.62 -13.45 61.76 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 121.566 -0.709 . . . . 0.0 112.903 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -88.28 -46.28 9.34 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.567 1.547 . . . . 0.0 110.769 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -18.28 65.18 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.455 1.102 . . . . 0.0 111.661 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.37 -31.68 66.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.396 1.478 . . . . 0.0 112.286 175.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.16 -46.06 82.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.479 -0.763 . . . . 0.0 110.028 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 m -62.42 -31.93 72.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.021 0.929 . . . . 0.0 111.239 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -64.96 -60.65 2.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.007 1.323 . . . . 0.0 110.518 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -59.16 -41.02 87.39 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.89 -19.58 64.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.008 0.822 . . . . 0.0 113.02 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 m -87.26 -46.14 9.98 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.432 0.693 . . . . 0.0 109.477 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -53.67 -45.23 70.22 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.525 1.53 . . . . 0.0 113.575 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.1 tp -58.33 -19.51 13.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.723 0.809 . . . . 0.0 112.623 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -110.55 6.35 21.86 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.189 2.196 . . . . 0.0 112.852 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.76 15.99 80.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.873 1.225 . . . . 0.0 115.001 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.09 161.28 15.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.308 1.443 . . . . 0.0 112.579 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 50.9 t -108.52 136.9 19.87 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 126.393 1.877 . . . . 0.0 110.396 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -65.25 157.15 59.22 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.39 2.06 . . . . 0.0 111.407 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 52.78 -28.76 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 129.787 3.235 . . . . 0.0 119.564 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.1 p -96.47 -18.24 19.99 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 121.604 2.002 . . . . 0.0 110.985 172.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.3 mtt 58.77 14.39 3.19 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 128.558 2.743 . . . . 0.0 116.383 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.4 m -60.82 144.35 52.79 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.054 0.942 . . . . 0.0 110.294 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.7 mt -121.45 142.15 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.663 1.185 . . . . 0.0 111.403 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.2 t -149.42 -167.11 2.74 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 128.616 2.767 . . . . 0.0 108.455 176.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.76 148.86 48.62 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 119.842 -1.786 . . . . 0.0 111.001 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.29 5.23 4.72 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.9 p -76.46 149.32 36.82 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.518 1.127 . . . . 0.0 111.626 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -58.24 -41.67 84.68 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.161 -0.962 . . . . 0.0 112.191 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 m -59.72 -39.4 84.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.185 0.994 . . . . 0.0 112.754 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.78 -38.45 46.68 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.454 0.701 . . . . 0.0 111.89 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.7 mt -69.97 -47.21 63.18 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.785 -0.572 . . . . 0.0 111.758 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -59.73 -36.15 76.0 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.145 0.884 . . . . 0.0 111.701 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.64 85.46 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.532 0.605 . . . . 0.0 111.18 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -72.7 -46.74 52.14 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.834 -0.542 . . . . 0.0 111.447 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -64.32 -20.71 66.27 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.478 -1.389 . . . . 0.0 113.717 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t -74.18 -19.68 60.46 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.088 0.955 . . . . 0.0 112.028 171.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.95 -34.46 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 127.838 2.455 . . . . 0.0 112.053 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.7 t -97.87 147.33 24.55 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -169.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.72 7.48 1.68 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.119 2.168 . . . . 0.0 112.918 175.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.1 mp -83.83 -6.76 59.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.239 1.416 . . . . 0.0 112.881 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.4 p -48.74 -17.68 0.2 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 128.371 2.669 . . . . 0.0 117.194 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.83 30.79 1.37 Allowed Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.812 1.672 . . . . 0.0 112.685 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.5 ptt85 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 125.982 1.713 . . . . 0.0 114.886 -179.285 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.1 ttm . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -164.94 -170.99 30.63 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.538 1.066 . . . . 0.0 113.149 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.0 m -52.96 -17.44 1.43 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt -89.55 6.93 38.87 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.639 1.576 . . . . 0.0 113.158 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.8 t -117.86 139.19 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.125 1.37 . . . . 0.0 111.9 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.3 t -60.94 145.28 51.03 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.087 1.755 . . . . 0.0 113.636 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.31 -13.8 60.45 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 80.2 t -113.3 -61.44 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.737 1.215 . . . . 0.0 113.441 -176.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 p -89.03 0.7 56.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 45.11 40.13 4.51 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.505 1.922 . . . . 0.0 113.682 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -116.37 166.44 12.06 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.098 2.159 . . . . 0.0 111.144 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -90.24 167.81 12.41 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.043 1.337 . . . . 0.0 111.856 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.1 t -133.17 164.05 27.91 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.195 1.798 . . . . 0.0 110.153 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.39 -33.75 68.16 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -142.5 158.56 43.56 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.887 1.275 . . . . 0.0 111.588 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.87 -16.46 64.1 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -48.97 9.06 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.509 1.524 . . . . 0.0 109.071 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.05 -15.2 63.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.824 0.85 . . . . 0.0 111.76 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.04 -28.93 70.13 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.89 1.276 . . . . 0.0 111.368 172.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.6 -36.27 70.76 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.813 -1.179 . . . . 0.0 109.613 172.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -67.57 -32.48 73.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.966 1.306 . . . . 0.0 110.691 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -64.35 -63.54 1.11 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.348 1.859 . . . . 0.0 111.357 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -57.39 -39.92 77.13 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -68.14 -18.51 64.64 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -94.65 -40.43 9.82 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.332 1.053 . . . . 0.0 110.258 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 92.0 m -55.54 -41.14 72.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.566 1.546 . . . . 0.0 113.525 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.8 tt -58.11 -19.8 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -111.43 9.6 21.42 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.276 1.831 . . . . 0.0 112.518 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.8 25.41 74.15 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.083 1.325 . . . . 0.0 114.673 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -117.23 148.77 41.35 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.276 1.43 . . . . 0.0 113.591 -174.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.2 t -79.95 135.61 55.1 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.097 0.959 . . . . 0.0 110.835 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -50.39 -33.21 36.65 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 124.556 3.504 . . . . 0.0 117.853 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -139.47 -25.95 0.83 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 -175.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -5.53 59.17 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.545 1.975 . . . . 0.0 112.813 177.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.7 mmt 62.66 13.4 6.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.261 2.624 . . . . 0.0 115.25 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.1 m -64.15 141.72 58.67 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.193 -0.942 . . . . 0.0 109.51 174.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.7 mt -129.3 139.29 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.848 1.259 . . . . 0.0 110.091 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.8 t -152.45 -166.73 2.55 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.764 2.426 . . . . 0.0 109.131 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -65.29 152.25 44.21 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.255 -1.528 . . . . 0.0 111.918 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.32 0.63 16.08 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.0 p -71.77 148.55 46.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.906 1.282 . . . . 0.0 111.824 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -38.99 79.45 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.554 -0.716 . . . . 0.0 112.34 177.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -60.12 -44.45 94.88 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.933 0.893 . . . . 0.0 112.952 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.5 -42.99 70.6 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.612 -0.68 . . . . 0.0 111.897 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.5 mt -68.79 -39.16 80.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.19 0.596 . . . . 0.0 112.21 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -62.94 -39.21 93.93 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.758 -1.214 . . . . 0.0 110.737 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.87 93.62 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.499 0.591 . . . . 0.0 110.868 174.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -63.25 -56.66 14.74 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.799 0.84 . . . . 0.0 111.104 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -65.16 -19.7 66.1 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.925 -1.109 . . . . 0.0 113.948 -177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.3 m -66.15 -19.94 65.99 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.383 -0.823 . . . . 0.0 112.273 172.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 pp -121.21 1.36 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.753 1.621 . . . . 0.0 114.212 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.8 t -124.78 134.15 52.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.965 1.706 . . . . 0.0 112.819 -178.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -128.89 -0.23 5.33 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.821 1.648 . . . . 0.0 113.724 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.3 -5.25 34.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.698 1.199 . . . . 0.0 112.537 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.2 p -50.51 -25.29 3.88 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.415 2.686 . . . . 0.0 115.685 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.22 33.84 0.38 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.648 1.118 . . . . 0.0 113.474 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.98 2.112 . . . . 0.0 110.824 -177.384 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 110.783 -0.08 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.57 173.51 44.75 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.496 1.046 . . . . 0.0 113.159 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 p -61.61 -13.93 26.18 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 tpt -118.29 21.41 12.7 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.775 2.03 . . . . 0.0 112.157 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 t -128.47 126.89 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.102 1.361 . . . . 0.0 111.482 -176.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.39 148.17 38.18 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.26 1.424 . . . . 0.0 114.655 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.81 -12.48 60.7 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.912 1.685 . . . . 0.0 114.284 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.86 -66.16 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.502 1.521 . . . . 0.0 112.917 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.58 -8.89 59.76 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.289 0.1 OUTLIER 52.33 34.68 15.4 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.249 1.42 . . . . 0.0 114.529 -177.857 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -118.27 159.29 23.61 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.505 2.322 . . . . 0.0 109.786 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -79.73 171.9 14.51 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.498 1.119 . . . . 0.0 113.145 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.7 t -123.9 178.43 5.27 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.155 2.182 . . . . 0.0 109.346 177.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.02 -35.79 77.82 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.451 -1.405 . . . . 0.0 111.059 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 p -140.64 160.4 40.11 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.858 1.663 . . . . 0.0 111.354 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.18 -13.38 62.16 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -86.73 -45.65 10.76 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.365 1.466 . . . . 0.0 111.11 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.13 -12.49 61.64 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.3 tp -57.55 -30.94 65.63 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.385 1.474 . . . . 0.0 112.087 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.83 -37.4 87.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.749 1.22 . . . . 0.0 111.023 175.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.8 m -77.0 -33.46 57.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.219 1.007 . . . . 0.0 110.825 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -56.16 -60.01 4.1 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.761 1.624 . . . . 0.0 110.003 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -56.83 -37.55 71.38 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.87 -19.28 65.01 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.407 1.083 . . . . 0.0 113.044 177.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.5 m -95.25 -41.01 9.27 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.676 1.191 . . . . 0.0 110.034 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.7 m -55.71 -41.57 73.99 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.767 1.627 . . . . 0.0 113.416 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.1 tt -58.22 -19.7 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 123.639 0.776 . . . . 0.0 112.98 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -112.4 9.93 19.77 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.462 1.905 . . . . 0.0 112.444 176.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.45 24.32 77.01 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.479 1.514 . . . . 0.0 115.761 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -119.11 152.52 36.36 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.705 1.602 . . . . 0.0 114.128 -175.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.1 t -81.42 138.09 48.26 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.779 1.232 . . . . 0.0 111.156 174.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -65.35 -13.26 38.84 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.694 2.929 . . . . 0.0 116.136 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -132.46 -43.81 0.92 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 116.976 2.213 . . . . 0.0 116.976 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.4 p -84.28 -5.98 59.33 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 121.351 1.887 . . . . 0.0 112.236 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.0 mmt 59.7 8.49 1.32 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.62 2.768 . . . . 0.0 115.621 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.1 m -59.83 145.1 46.73 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.589 1.156 . . . . 0.0 110.195 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.6 mt -125.01 138.01 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.967 1.307 . . . . 0.0 110.001 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.1 p -131.58 -84.01 0.51 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.913 1.285 . . . . 0.0 108.895 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -152.31 156.46 39.68 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.265 2.226 . . . . 0.0 109.837 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.79 -0.68 21.9 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.1 p -73.81 146.98 43.79 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.218 1.007 . . . . 0.0 111.37 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.84 -31.97 72.26 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.149 -0.97 . . . . 0.0 111.534 176.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.8 m -63.07 -44.0 96.99 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.477 1.111 . . . . 0.0 112.701 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.97 -41.33 59.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.226 0.61 . . . . 0.0 111.633 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.93 -44.72 76.18 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.641 0.776 . . . . 0.0 112.584 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.56 -39.34 87.65 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.023 1.283 . . . . 0.0 111.342 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.43 94.19 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.188 0.449 . . . . 0.0 111.105 175.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -69.47 -50.65 43.45 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.257 0.623 . . . . 0.0 111.942 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -65.45 -19.87 66.12 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.441 -1.412 . . . . 0.0 113.733 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -72.49 -19.56 61.53 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.539 0.736 . . . . 0.0 111.669 170.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.25 -35.36 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 127.977 2.511 . . . . 0.0 111.452 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.0 t -95.42 125.66 40.19 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 -169.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -117.81 1.85 12.16 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.88 2.072 . . . . 0.0 111.965 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.9 -5.56 41.86 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.403 1.481 . . . . 0.0 112.758 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.8 p -56.39 13.49 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 130.048 3.339 . . . . 0.0 117.414 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.26 23.54 0.11 Allowed Glycine 0 CA--C 1.54 1.603 0 C-N-CA 127.484 2.469 . . . . 0.0 112.742 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.545 1.538 . . . . 0.0 114.578 -178.584 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.734 -0.65 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -164.31 -28.58 0.02 OUTLIER Glycine 0 N--CA 1.477 1.405 0 N-CA-C 116.779 1.472 . . . . 0.0 116.779 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.1 p -56.17 -27.52 54.72 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 ttt -127.23 33.03 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.071 1.748 . . . . 0.0 111.878 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.4 t -125.33 135.86 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.257 1.423 . . . . 0.0 111.467 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.8 t -64.09 144.74 56.88 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.036 1.335 . . . . 0.0 112.618 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.43 -14.05 62.39 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.0 1.32 . . . . 0.0 114.196 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.26 -71.75 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 125.207 1.403 . . . . 0.0 112.878 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 p -72.82 -4.01 29.01 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.251 51.6 m80 47.87 35.28 4.67 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.02 2.128 . . . . 0.0 114.326 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -118.62 163.09 17.33 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.333 2.253 . . . . 0.0 110.223 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -80.51 168.31 19.09 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.185 0.994 . . . . 0.0 112.847 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.8 t -119.32 167.3 12.02 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.235 1.814 . . . . 0.0 109.123 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -55.03 -35.87 64.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.236 -0.915 . . . . 0.0 112.178 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 p -141.77 162.33 35.75 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.503 1.521 . . . . 0.0 111.199 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.95 -16.8 62.1 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 121.44 -0.788 . . . . 0.0 112.423 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -79.9 -47.56 14.87 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.849 1.66 . . . . 0.0 111.11 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -75.6 -4.67 41.38 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 tp -57.2 -33.03 67.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.095 1.358 . . . . 0.0 112.404 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.64 -50.61 64.38 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.589 -0.695 . . . . 0.0 109.42 173.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 m -55.3 -35.46 65.12 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.26 1.024 . . . . 0.0 111.479 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -61.35 -60.17 4.15 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.037 1.335 . . . . 0.0 110.576 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -60.01 -36.97 78.36 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -68.17 -19.99 64.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.868 0.758 . . . . 0.0 112.781 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.8 m -88.77 -45.03 10.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.655 0.782 . . . . 0.0 109.737 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.9 m -55.84 -44.68 78.22 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.525 1.53 . . . . 0.0 113.378 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.6 tp -59.46 -19.38 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 123.522 0.729 . . . . 0.0 112.485 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -108.19 6.75 27.02 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.053 2.141 . . . . 0.0 112.736 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.29 23.87 77.27 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.311 1.434 . . . . 0.0 115.706 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -122.97 159.35 28.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.905 1.682 . . . . 0.0 113.268 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.3 t -94.03 137.94 22.81 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.348 1.459 . . . . 0.0 111.793 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -64.98 148.78 89.89 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 121.371 1.381 . . . . 0.0 109.799 173.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 53.76 -42.52 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 129.485 3.114 . . . . 0.0 118.569 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -25.6 56.19 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 121.313 1.87 . . . . 0.0 111.037 175.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . 0.25 61.2 mtt 61.91 13.64 5.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.927 2.491 . . . . 0.0 116.303 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.9 m -58.78 140.94 54.34 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.111 0.964 . . . . 0.0 110.155 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.0 mt -121.83 142.91 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.877 1.271 . . . . 0.0 110.712 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 81' ' ' GLU . 4.5 t -144.09 -89.22 0.12 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.781 1.232 . . . . 0.0 109.479 174.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.537 ' H ' HG23 ' A' ' 80' ' ' THR . 51.6 mm-40 -149.64 158.07 43.83 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.995 2.118 . . . . 0.0 109.171 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.9 1.26 18.1 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.5 p -76.12 145.46 39.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.363 1.065 . . . . 0.0 111.516 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.09 -38.05 81.79 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.105 -0.997 . . . . 0.0 111.597 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 m -58.34 -38.77 77.84 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.226 1.01 . . . . 0.0 112.715 177.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.06 -40.41 27.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.669 0.787 . . . . 0.0 112.148 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.13 -39.53 71.94 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.828 -0.545 . . . . 0.0 112.094 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -59.68 -43.91 93.84 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.973 -1.079 . . . . 0.0 110.737 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.95 81.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.52 0.728 . . . . 0.0 111.667 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -64.35 -54.31 35.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.577 0.751 . . . . 0.0 111.287 175.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -65.99 -20.94 66.36 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -175.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.2 m -62.04 -19.87 63.34 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.699 0.681 . . . . 0.0 112.616 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.6 pt -124.64 3.42 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 125.618 1.567 . . . . 0.0 115.073 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.2 t -121.83 136.05 54.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.865 1.266 . . . . 0.0 114.326 -177.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.52 16.18 2.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.629 1.971 . . . . 0.0 113.616 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.7 mt -94.69 8.7 41.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.119 1.368 . . . . 0.0 111.665 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.2 p -55.74 -17.05 5.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.648 2.379 . . . . 0.0 116.048 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.24 32.79 0.29 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 126.151 1.834 . . . . 0.0 111.617 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.9 ttm105 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 127.018 2.127 . . . . 0.0 111.437 -174.622 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tpt . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.65 137.8 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.316 1.446 . . . . 0.0 112.476 -174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.0 t -67.91 145.1 54.91 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.18 1.392 . . . . 0.0 113.705 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -72.02 -15.66 62.04 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.784 1.234 . . . . 0.0 114.312 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.9 t -112.57 -63.81 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 125.01 1.324 . . . . 0.0 113.176 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 p -80.52 -8.7 59.67 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.256 0.3 OUTLIER 52.63 27.84 5.57 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.323 1.449 . . . . 0.0 114.541 -177.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -104.41 162.9 12.84 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.278 1.831 . . . . 0.0 110.332 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -78.42 166.67 22.36 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.543 1.137 . . . . 0.0 113.121 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.3 t -134.91 161.78 34.27 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.673 1.989 . . . . 0.0 108.961 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.05 -29.8 70.72 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.7 p -141.05 157.91 44.66 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.714 1.206 . . . . 0.0 111.642 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -14.09 61.83 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -88.14 -42.02 12.62 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.429 1.491 . . . . 0.0 111.438 179.04 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.56 -23.71 62.66 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.65 0.78 . . . . 0.0 111.098 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.9 tp -54.37 -34.82 61.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.855 1.662 . . . . 0.0 112.755 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.2 -32.09 71.14 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.359 1.064 . . . . 0.0 111.808 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.4 m -79.47 -34.95 40.98 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.409 0.684 . . . . 0.0 110.51 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -52.1 -59.64 4.13 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.034 1.734 . . . . 0.0 110.429 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -56.23 -36.91 69.03 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -70.03 -19.88 63.28 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.103 0.961 . . . . 0.0 113.215 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 m -93.88 -40.83 9.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.836 0.854 . . . . 0.0 109.495 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.8 m -56.1 -43.33 77.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.381 1.472 . . . . 0.0 113.16 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.8 tp -59.07 -19.59 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.79 0.836 . . . . 0.0 112.369 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -109.14 5.7 24.18 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 127.224 2.21 . . . . 0.0 112.558 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.75 19.99 79.52 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.378 1.466 . . . . 0.0 115.246 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -116.86 155.01 29.76 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.213 1.405 . . . . 0.0 113.822 -175.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.7 t -83.11 136.54 43.62 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 124.644 1.177 . . . . 0.0 110.201 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -64.88 -13.21 38.24 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.455 2.77 . . . . 0.0 116.532 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -134.54 -43.2 0.76 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.0 p -81.89 -6.19 58.89 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.127 1.785 . . . . 0.0 112.293 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.7 mmt 60.45 8.09 1.54 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.816 2.846 . . . . 0.0 116.117 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.7 m -57.62 142.53 44.5 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.413 1.085 . . . . 0.0 110.285 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.7 mt -120.22 139.93 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.618 1.167 . . . . 0.0 110.755 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 t -149.33 -169.23 3.32 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.965 2.506 . . . . 0.0 109.174 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.39 143.16 57.31 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.138 -1.601 . . . . 0.0 111.155 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.32 41.59 0.39 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.723 1.209 . . . . 0.0 113.164 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.9 p -119.36 149.22 42.19 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.311 1.844 . . . . 0.0 110.421 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.11 -36.03 74.45 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.28 -0.887 . . . . 0.0 112.798 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.6 m -61.82 -41.54 97.9 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.268 1.027 . . . . 0.0 112.729 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.83 -42.02 35.06 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.495 0.718 . . . . 0.0 111.902 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.84 -42.26 90.75 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.427 0.691 . . . . 0.0 111.625 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.76 -40.57 92.99 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.115 -0.991 . . . . 0.0 111.179 175.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.21 81.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.527 0.603 . . . . 0.0 111.528 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -71.23 -53.99 12.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.46 0.704 . . . . 0.0 111.615 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -64.57 -19.83 65.88 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.9 m -64.09 -20.11 65.72 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.379 -0.826 . . . . 0.0 112.136 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.8 pt -122.8 1.6 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.949 1.7 . . . . 0.0 113.99 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.7 t -121.93 127.34 50.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.808 1.643 . . . . 0.0 113.013 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -128.35 6.98 5.84 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.948 1.699 . . . . 0.0 112.975 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.45 -14.9 62.86 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.189 0.996 . . . . 0.0 111.33 172.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.6 p -46.76 -16.44 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 130.03 3.332 . . . . 0.0 116.058 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.85 34.81 0.41 Allowed Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.189 1.852 . . . . 0.0 112.207 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 . . . . . 0 C--O 1.251 1.133 0 C-N-CA 125.726 1.611 . . . . 0.0 112.153 -178.585 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 ttt . . . . . 0 CA--C 1.548 0.876 0 CA-C-O 121.285 0.564 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.2 t -126.37 138.2 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.585 1.554 . . . . 0.0 111.222 -176.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.2 t -61.18 152.62 28.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.518 1.527 . . . . 0.0 113.921 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -85.12 -9.46 57.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.995 1.318 . . . . 0.0 113.834 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.6 t -116.95 -61.09 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.134 1.374 . . . . 0.0 113.098 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.1 p -85.23 -7.39 59.05 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.296 1.5 t60 48.03 36.65 6.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.987 1.715 . . . . 0.0 114.975 -177.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -111.69 160.15 17.54 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.719 2.008 . . . . 0.0 110.031 177.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.5 169.68 17.61 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.963 0.905 . . . . 0.0 112.454 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.4 t -133.34 157.67 44.92 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.268 1.827 . . . . 0.0 108.626 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -59.72 -27.74 66.73 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.33 157.27 45.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.727 1.211 . . . . 0.0 111.215 176.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.78 -12.8 60.81 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -89.69 -45.08 9.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.202 1.401 . . . . 0.0 111.192 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.69 -14.53 63.08 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.663 0.785 . . . . 0.0 112.325 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.4 tp -56.14 -32.16 64.0 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.634 1.574 . . . . 0.0 112.368 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -69.54 -40.91 76.58 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.181 -0.949 . . . . 0.0 111.154 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -63.43 -35.47 80.52 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.646 -0.659 . . . . 0.0 110.448 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -58.4 -60.46 3.75 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.365 1.466 . . . . 0.0 110.216 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -58.91 -38.13 78.21 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.86 -24.1 67.44 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.965 0.906 . . . . 0.0 112.947 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 m -92.14 -42.67 9.78 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.365 1.066 . . . . 0.0 110.33 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.0 m -56.0 -46.14 78.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.514 1.526 . . . . 0.0 113.139 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.5 tt -58.36 -19.41 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 123.941 0.896 . . . . 0.0 112.869 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -110.82 6.44 21.37 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.878 2.071 . . . . 0.0 112.958 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.63 40.71 85.69 Favored Glycine 0 N--CA 1.468 0.816 0 C-N-CA 124.781 1.181 . . . . 0.0 114.632 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -136.99 153.02 50.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.043 1.337 . . . . 0.0 112.607 -176.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.89 138.24 37.52 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 124.236 1.014 . . . . 0.0 109.751 173.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -63.96 -15.3 48.34 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.142 2.561 . . . . 0.0 116.278 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -136.48 -42.99 0.61 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 117.155 2.279 . . . . 0.0 117.155 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 p -82.26 -5.92 58.87 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 121.33 1.877 . . . . 0.0 112.431 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.3 mmt 58.14 16.71 4.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.455 2.702 . . . . 0.0 115.625 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.9 m -61.12 145.01 52.48 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.504 -0.747 . . . . 0.0 109.022 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.7 mt -113.4 147.34 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.516 1.126 . . . . 0.0 111.245 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.9 p -136.35 -178.0 4.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.362 2.265 . . . . 0.0 111.936 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.94 2.39 6.98 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.182 1.393 . . . . 0.0 114.157 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 64.09 15.26 9.15 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.106 1.762 . . . . 0.0 114.248 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.7 p -103.08 155.82 18.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.665 1.586 . . . . 0.0 110.326 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.77 -43.63 85.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.358 -0.839 . . . . 0.0 112.032 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.0 m -59.26 -38.03 79.09 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.05 0.94 . . . . 0.0 112.646 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.15 -35.93 35.91 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.488 0.715 . . . . 0.0 112.272 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.6 mt -74.79 -43.06 56.74 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.645 -0.659 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -61.28 -38.02 85.26 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.234 0.925 . . . . 0.0 111.203 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.45 78.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.162 0.585 . . . . 0.0 111.655 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -72.59 -54.46 9.06 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.464 0.706 . . . . 0.0 111.729 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -63.49 -19.64 64.93 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 t -61.72 -24.53 66.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.729 0.812 . . . . 0.0 112.205 172.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.0 pt -118.8 -3.54 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 125.587 1.555 . . . . 0.0 114.564 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.8 t -111.62 135.78 51.74 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.398 1.479 . . . . 0.0 112.778 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -132.95 0.79 3.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.948 1.699 . . . . 0.0 113.592 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.4 mt -69.1 -11.75 61.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.445 1.098 . . . . 0.0 112.96 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.5 p -49.36 -10.96 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 129.34 3.056 . . . . 0.0 117.489 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -157.63 34.22 0.54 Allowed Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.745 1.64 . . . . 0.0 112.255 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.701 1.6 . . . . 0.0 112.221 -178.781 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 40.0 tpp . . . . . 0 CA--C 1.547 0.847 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.7 t -83.49 131.1 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.091 1.356 . . . . 0.0 112.41 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.4 t -64.83 146.86 54.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.957 1.703 . . . . 0.0 113.518 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.82 -17.92 63.42 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.323 1.449 . . . . 0.0 114.567 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.69 -63.95 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.061 1.344 . . . . 0.0 113.423 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 p -78.33 -3.44 43.03 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 44.91 36.35 1.87 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.407 1.883 . . . . 0.0 113.843 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -117.5 158.42 24.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.831 2.452 . . . . 0.0 109.619 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.88 166.5 23.54 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.308 -0.87 . . . . 0.0 113.137 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.7 t -130.06 167.3 18.52 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.35 1.86 . . . . 0.0 110.102 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -64.14 -37.36 87.16 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.159 -0.963 . . . . 0.0 112.691 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -143.31 158.83 43.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.901 1.28 . . . . 0.0 111.514 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.41 -11.36 60.76 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -94.71 -41.72 9.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.928 1.691 . . . . 0.0 110.725 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.54 -27.19 69.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.296 1.038 . . . . 0.0 110.72 173.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.05 -34.95 61.4 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.911 1.685 . . . . 0.0 113.316 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.99 -35.52 78.47 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.515 -0.741 . . . . 0.0 111.695 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 m -72.58 -34.64 67.57 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.382 173.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -58.94 -60.34 4.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.899 1.68 . . . . 0.0 110.278 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -57.21 -37.92 72.95 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.94 -19.93 65.02 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -93.45 -42.95 8.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.654 0.781 . . . . 0.0 109.909 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.1 m -53.9 -45.56 71.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.925 1.29 . . . . 0.0 112.988 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.2 tp -57.7 -19.54 12.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.961 0.904 . . . . 0.0 112.741 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -111.41 7.12 20.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.223 2.209 . . . . 0.0 113.065 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.92 26.91 73.11 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.454 1.026 . . . . 0.0 114.536 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -116.91 152.21 35.0 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.547 1.939 . . . . 0.0 113.298 -175.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.64 133.63 33.95 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 124.485 1.114 . . . . 0.0 109.178 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -64.19 -11.08 26.01 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.765 2.977 . . . . 0.0 117.093 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -135.02 -45.69 0.72 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -177.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 9.9 p -83.4 -4.29 58.35 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 120.659 1.572 . . . . 0.0 112.566 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 87.0 mmm 57.72 17.05 3.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.363 2.665 . . . . 0.0 115.836 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 55.2 m -60.4 142.53 54.85 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.356 -0.84 . . . . 0.0 109.927 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.52 137.5 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.938 1.295 . . . . 0.0 110.604 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.4 t -155.03 -170.94 3.65 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.29 2.236 . . . . 0.0 109.455 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.82 148.85 50.65 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.224 -1.547 . . . . 0.0 110.994 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.4 2.05 10.32 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.6 p -71.82 149.97 44.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.411 1.085 . . . . 0.0 111.295 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -61.59 -33.83 74.56 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.086 -1.009 . . . . 0.0 111.812 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 m -62.73 -42.52 99.7 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.279 1.032 . . . . 0.0 112.663 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.34 58.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.358 0.663 . . . . 0.0 111.695 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.09 -43.98 85.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.622 0.769 . . . . 0.0 111.939 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -61.18 -38.95 88.33 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.449 1.022 . . . . 0.0 111.45 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.96 77.94 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 118.755 0.707 . . . . 0.0 111.464 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.9 -53.88 11.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.533 0.733 . . . . 0.0 111.314 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -63.81 -19.89 65.37 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -65.52 -20.55 66.39 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.443 -0.786 . . . . 0.0 112.378 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.3 pt -121.19 -7.81 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.718 1.607 . . . . 0.0 114.084 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.1 t -105.95 130.53 53.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.26 1.424 . . . . 0.0 112.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.78 11.51 4.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.336 1.854 . . . . 0.0 112.366 176.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.31 -7.3 53.58 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.849 1.26 . . . . 0.0 111.284 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.5 p -54.86 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.16 1 C-N-CA 132.195 4.198 . . . . 0.0 117.914 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.07 17.47 0.1 OUTLIER Glycine 0 CA--C 1.539 1.581 0 C-N-CA 126.875 2.178 . . . . 0.0 113.566 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.501 1.52 . . . . 0.0 112.644 -178.059 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 ttt . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.2 t -120.51 132.18 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.74 1.616 . . . . 0.0 111.3 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.16 139.82 58.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.564 1.146 . . . . 0.0 112.433 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.81 -10.74 60.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.331 1.452 . . . . 0.0 114.73 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.55 -46.02 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.921 1.288 . . . . 0.0 113.412 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.1 p -104.2 0.37 29.4 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.3 m80 44.18 36.31 1.48 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.475 1.91 . . . . 0.0 114.724 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -117.11 162.12 18.34 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.855 2.062 . . . . 0.0 110.535 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -74.6 169.08 18.52 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.991 0.916 . . . . 0.0 112.888 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.4 t -130.55 159.95 35.61 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.96 2.104 . . . . 0.0 107.97 173.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.6 -31.05 71.81 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.893 -1.129 . . . . 0.0 113.052 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -140.68 158.69 43.61 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.91 1.284 . . . . 0.0 111.271 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.72 -12.44 61.32 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.89 -45.53 9.17 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.614 1.566 . . . . 0.0 111.125 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -68.2 -16.03 63.81 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.318 0.647 . . . . 0.0 112.174 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.55 -33.41 63.83 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.319 1.448 . . . . 0.0 112.034 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.34 -33.0 74.33 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.806 0.842 . . . . 0.0 111.73 176.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.1 m -77.68 -33.39 53.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.146 0.978 . . . . 0.0 110.474 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -57.51 -58.51 7.98 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.554 1.542 . . . . 0.0 109.693 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.5 ptp85 -55.54 -40.36 71.75 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -69.41 -24.37 63.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.959 0.904 . . . . 0.0 113.002 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.9 m -85.38 -46.47 10.92 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.321 0.649 . . . . 0.0 109.513 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m -56.14 -47.02 78.99 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.528 1.531 . . . . 0.0 113.361 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.6 tp -58.26 -19.43 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 123.317 0.647 . . . . 0.0 112.424 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -109.89 6.84 23.63 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.189 2.196 . . . . 0.0 113.194 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.22 30.02 65.66 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.602 1.096 . . . . 0.0 115.277 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -127.14 159.69 33.46 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.003 1.721 . . . . 0.0 112.567 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.1 t -93.57 139.42 22.83 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.374 1.47 . . . . 0.0 110.5 173.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -64.96 -12.74 35.99 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.257 2.638 . . . . 0.0 115.937 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -131.11 -51.95 1.03 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.5 p -79.82 -12.21 59.78 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.569 1.531 . . . . 0.0 112.251 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.6 mtt 56.26 18.56 3.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.098 2.559 . . . . 0.0 115.472 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 51.9 m -59.78 134.82 57.38 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.561 -0.712 . . . . 0.0 109.448 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.0 mm -98.63 139.37 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.245 1.018 . . . . 0.0 110.981 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.5 t -153.69 -177.83 6.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 127.298 2.239 . . . . 0.0 109.189 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -67.27 146.31 54.28 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.069 -1.645 . . . . 0.0 110.393 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.56 3.75 3.67 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.9 p -75.93 149.36 37.72 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.66 1.184 . . . . 0.0 111.537 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.11 -43.87 87.38 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.286 -0.884 . . . . 0.0 112.412 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.6 m -60.14 -39.13 85.25 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.914 0.886 . . . . 0.0 112.703 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.52 -37.01 57.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.27 0.628 . . . . 0.0 111.849 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 44.6 mt -70.51 -40.89 73.26 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.692 -0.63 . . . . 0.0 111.408 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.68 -37.79 85.41 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.301 -0.874 . . . . 0.0 111.148 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.19 -35.33 76.87 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.7 0.682 . . . . 0.0 111.66 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -72.56 -54.59 8.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.533 0.733 . . . . 0.0 111.325 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -63.71 -19.93 65.33 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.8 m -63.26 -20.11 65.16 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.446 -0.784 . . . . 0.0 112.458 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 pt -121.34 -6.33 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.637 1.575 . . . . 0.0 114.069 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 23.5 t -109.48 128.54 55.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.143 1.377 . . . . 0.0 113.423 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -131.98 11.9 4.71 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.107 1.763 . . . . 0.0 112.526 174.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.77 -11.44 60.95 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.742 1.217 . . . . 0.0 111.551 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 53.4 p -52.7 17.09 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 1 C-N-CA 132.779 4.432 . . . . 0.0 118.274 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.19 26.71 0.07 OUTLIER Glycine 0 CA--C 1.534 1.269 0 C-N-CA 127.229 2.347 . . . . 0.0 112.557 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.185 1.394 . . . . 0.0 112.76 -175.07 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.2 ttp . . . . . 0 CA--C 1.551 0.99 0 CA-C-O 122.004 0.906 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -114.88 136.15 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.93 2.092 . . . . 0.0 111.281 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.3 142.93 54.0 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.273 1.429 . . . . 0.0 113.71 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -72.17 -11.89 60.94 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.801 1.24 . . . . 0.0 114.127 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.4 t -114.97 -63.23 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 125.194 1.398 . . . . 0.0 113.122 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.0 p -81.57 -3.56 53.61 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 46.0 35.51 2.49 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.152 1.781 . . . . 0.0 113.918 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -111.66 150.13 30.58 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.771 2.028 . . . . 0.0 109.757 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -75.22 139.2 42.44 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.325 -0.859 . . . . 0.0 111.302 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.3 t -92.38 173.64 7.7 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.177 0.991 . . . . 0.0 111.056 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.76 -36.39 78.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.654 -1.279 . . . . 0.0 112.061 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -145.54 165.88 27.35 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.444 1.498 . . . . 0.0 112.009 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.41 -15.94 61.34 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -89.49 -43.99 10.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.234 1.414 . . . . 0.0 110.726 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.57 -23.55 66.87 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.393 1.077 . . . . 0.0 111.424 176.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.7 tp -53.09 -35.0 59.11 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.396 1.879 . . . . 0.0 112.889 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.09 -46.55 77.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.153 0.981 . . . . 0.0 110.969 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -64.77 -36.84 85.61 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.474 -0.766 . . . . 0.0 110.894 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -58.54 -60.4 3.87 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.438 1.495 . . . . 0.0 110.359 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -58.57 -39.2 79.64 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -69.43 -19.73 63.78 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.5 m -91.7 -43.09 9.79 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.491 -0.756 . . . . 0.0 110.044 174.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 67.3 m -54.83 -45.7 74.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.162 1.385 . . . . 0.0 113.134 176.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.6 tp -57.63 -19.49 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 123.891 0.877 . . . . 0.0 112.579 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -111.6 7.43 20.53 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.254 2.222 . . . . 0.0 113.145 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.82 27.71 71.9 Favored Glycine 0 CA--C 1.539 1.546 0 O-C-N 120.985 -1.072 . . . . 0.0 114.829 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -118.1 152.55 35.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.332 1.853 . . . . 0.0 113.106 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.6 t -89.74 133.22 34.6 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 124.427 1.091 . . . . 0.0 109.26 170.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -64.62 -18.79 63.88 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.352 2.701 . . . . 0.0 116.894 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -134.5 -12.68 2.35 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 117.662 2.468 . . . . 0.0 117.662 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.85 -2.68 14.3 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 120.565 1.53 . . . . 0.0 111.934 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 55.83 18.19 2.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.995 2.518 . . . . 0.0 115.677 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.5 m -61.32 138.98 58.25 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.34 -0.85 . . . . 0.0 109.271 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.61 134.86 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.686 1.195 . . . . 0.0 110.408 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.3 t -154.53 -169.04 3.1 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.369 2.268 . . . . 0.0 109.382 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -69.76 152.64 44.38 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.012 -1.68 . . . . 0.0 111.746 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.7 1.45 17.08 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.098 0.959 . . . . 0.0 113.505 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.9 p -72.4 147.92 45.73 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.61 1.164 . . . . 0.0 111.335 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -62.19 -29.95 70.73 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.179 -0.95 . . . . 0.0 112.267 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.1 m -66.26 -42.36 88.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.075 0.95 . . . . 0.0 112.123 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.79 -42.32 58.34 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.512 0.725 . . . . 0.0 111.626 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.02 -46.12 79.03 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.625 0.77 . . . . 0.0 112.185 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -61.67 -37.75 85.22 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.577 1.081 . . . . 0.0 111.733 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.66 80.95 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.644 0.656 . . . . 0.0 111.319 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -70.23 -53.04 18.71 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.391 0.677 . . . . 0.0 111.166 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -64.07 -20.07 65.68 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -64.94 -20.23 66.36 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.485 -0.759 . . . . 0.0 112.307 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.7 pt -122.52 -3.98 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.824 1.65 . . . . 0.0 114.082 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.2 t -112.39 130.67 55.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.556 1.542 . . . . 0.0 112.795 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -131.24 8.0 4.65 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.15 1.78 . . . . 0.0 112.756 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.89 -15.18 63.5 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.677 0.791 . . . . 0.0 110.885 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.2 p -49.2 -2.51 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 131.009 3.724 . . . . 0.0 117.756 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -151.17 21.77 0.97 Allowed Glycine 0 CA--C 1.538 1.503 0 C-N-CA 126.03 1.776 . . . . 0.0 113.622 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 125.128 1.371 . . . . 0.0 114.536 -179.49 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 ttt . . . . . 0 CA--C 1.548 0.903 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.6 t -86.53 128.54 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.747 1.219 . . . . 0.0 110.498 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.1 t -57.85 139.74 53.45 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.141 1.377 . . . . 0.0 112.818 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -66.39 -11.51 51.91 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.6 t -118.52 -69.44 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 125.098 1.359 . . . . 0.0 112.532 -177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.7 p -72.58 -3.19 23.21 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.4 m80 45.25 38.97 3.79 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.435 1.894 . . . . 0.0 113.848 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -117.75 150.14 39.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.43 2.292 . . . . 0.0 109.534 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -76.59 133.15 39.75 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.354 -0.841 . . . . 0.0 110.229 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.3 p -74.49 173.95 9.64 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.84 0.856 . . . . 0.0 112.207 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -71.02 -41.85 70.32 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.887 -1.133 . . . . 0.0 110.404 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -144.3 152.22 40.48 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.774 1.63 . . . . 0.0 110.966 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.15 -12.4 19.57 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -82.33 -44.06 16.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.739 1.616 . . . . 0.0 111.072 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -73.46 -16.8 61.3 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.4 tp -48.1 -41.21 25.73 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.534 1.934 . . . . 0.0 114.514 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -70.36 -41.0 73.7 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.346 -0.846 . . . . 0.0 111.778 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 t -62.57 -37.59 86.8 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.71 -0.619 . . . . 0.0 110.454 174.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -57.72 -60.77 3.18 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.494 1.518 . . . . 0.0 110.301 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -59.82 -38.88 83.26 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -65.89 -19.84 66.02 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 m -95.04 -43.32 8.19 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.08 0.952 . . . . 0.0 109.926 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.8 m -55.27 -44.08 75.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.567 1.547 . . . . 0.0 112.941 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.6 -19.51 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 124.046 0.938 . . . . 0.0 112.666 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -110.72 7.85 22.33 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.05 2.14 . . . . 0.0 112.528 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.57 22.13 77.83 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.197 1.38 . . . . 0.0 115.213 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -118.46 154.4 32.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.804 1.241 . . . . 0.0 113.847 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.1 t -80.57 137.94 51.29 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.871 1.268 . . . . 0.0 110.518 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.53 -14.39 44.59 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.218 2.612 . . . . 0.0 116.273 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -134.25 -46.35 0.77 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 p -81.08 -5.13 57.28 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.099 1.772 . . . . 0.0 112.116 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.1 mmt 60.22 11.4 2.78 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.698 2.799 . . . . 0.0 115.482 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.3 m -54.45 139.44 37.41 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.933 1.293 . . . . 0.0 110.422 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.8 mt -118.19 138.65 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.431 1.092 . . . . 0.0 110.701 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 t -151.42 -170.61 3.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.993 2.517 . . . . 0.0 108.805 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.41 149.1 50.71 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 119.98 -1.7 . . . . 0.0 110.947 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.95 4.41 5.42 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.2 p -72.99 150.32 42.55 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.694 1.198 . . . . 0.0 111.22 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.05 -35.83 77.98 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.176 -0.952 . . . . 0.0 112.272 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -62.76 -42.18 99.56 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.365 1.066 . . . . 0.0 112.89 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.53 -42.41 67.95 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.307 0.643 . . . . 0.0 111.25 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.59 -37.25 79.67 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.419 0.688 . . . . 0.0 111.926 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -62.84 -41.01 99.18 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.652 -1.28 . . . . 0.0 110.364 174.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.01 89.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.41 0.55 . . . . 0.0 110.995 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -63.86 -57.37 10.06 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.894 0.878 . . . . 0.0 111.231 174.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -65.8 -19.77 66.01 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -64.86 -19.81 66.08 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.537 -0.727 . . . . 0.0 112.367 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.9 pt -123.1 -1.55 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.679 1.592 . . . . 0.0 114.208 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.7 t -118.06 131.36 56.46 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.687 1.595 . . . . 0.0 112.859 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -130.91 1.26 4.31 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.852 1.661 . . . . 0.0 113.72 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.7 mt -65.31 -14.76 61.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.972 0.909 . . . . 0.0 111.88 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.3 p -49.41 -14.52 0.1 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.495 3.118 . . . . 0.0 116.212 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.47 31.54 0.34 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.159 1.837 . . . . 0.0 112.246 176.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.635 1.574 . . . . 0.0 112.431 -176.773 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.7 ttt . . . . . 0 CA--C 1.549 0.925 0 CA-C-O 121.037 0.446 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.6 t -120.15 132.95 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.735 1.614 . . . . 0.0 111.486 -175.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.1 t -63.54 142.37 58.42 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.495 1.118 . . . . 0.0 113.213 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -73.12 -12.13 60.79 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.0 t -117.66 -48.82 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.719 1.208 . . . . 0.0 113.951 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.0 p -104.04 0.72 30.17 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 47.82 27.88 1.22 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.568 1.947 . . . . 0.0 114.47 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -83.36 143.33 30.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.69 1.196 . . . . 0.0 111.081 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -86.46 85.86 7.32 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.488 1.515 . . . . 0.0 109.851 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.4 t -51.75 152.43 2.9 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.372 1.069 . . . . 0.0 113.241 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -53.41 -31.38 44.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.862 1.265 . . . . 0.0 114.014 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.32 157.25 45.46 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.011 1.324 . . . . 0.0 110.574 175.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.29 -11.78 61.1 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -99.29 -40.78 7.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.024 1.33 . . . . 0.0 112.03 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.32 -23.05 67.24 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.899 0.772 . . . . 0.0 110.988 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.0 tp -53.79 -33.28 55.51 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.436 1.895 . . . . 0.0 112.308 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -67.86 -32.24 72.63 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.272 1.029 . . . . 0.0 111.815 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 m -80.31 -36.56 34.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.128 0.971 . . . . 0.0 110.46 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -55.02 -60.26 3.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.234 1.813 . . . . 0.0 110.583 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -54.45 -39.44 67.44 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -70.55 -19.92 62.84 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.169 0.987 . . . . 0.0 113.08 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -92.27 -42.46 9.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.215 1.006 . . . . 0.0 109.996 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.0 m -56.76 -42.96 80.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.585 1.554 . . . . 0.0 113.669 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.5 tt -60.2 -19.37 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.417 0.687 . . . . 0.0 112.409 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -107.45 6.89 28.62 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.065 2.146 . . . . 0.0 112.234 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.37 21.6 76.02 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.655 1.598 . . . . 0.0 115.17 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -119.92 158.51 26.54 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.235 1.414 . . . . 0.0 113.809 -174.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.5 t -85.89 139.02 34.95 Favored Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 125.067 1.347 . . . . 0.0 111.179 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -64.85 -14.34 44.44 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.442 2.761 . . . . 0.0 116.136 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -134.13 -47.53 0.78 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -78.05 -13.24 59.94 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.892 1.678 . . . . 0.0 111.903 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.2 mtt 58.12 15.55 3.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.234 2.614 . . . . 0.0 116.163 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 49.0 m -59.9 145.36 46.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.808 0.843 . . . . 0.0 109.116 172.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.1 mt -119.36 141.7 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.192 0.997 . . . . 0.0 111.44 -177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.5 t -150.52 -170.72 3.73 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 128.297 2.639 . . . . 0.0 109.011 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.04 146.58 54.18 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 119.957 -1.714 . . . . 0.0 111.275 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.19 43.53 0.37 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.853 1.261 . . . . 0.0 113.194 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.4 p -128.15 154.44 45.76 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.006 1.722 . . . . 0.0 112.142 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -57.28 -44.94 84.45 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.1 m -58.01 -38.42 76.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.918 0.887 . . . . 0.0 112.394 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.81 -41.75 22.81 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.276 1.031 . . . . 0.0 113.118 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.4 mt -76.61 -43.05 40.13 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -61.55 -34.81 76.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.336 0.971 . . . . 0.0 111.293 177.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.03 85.16 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.388 0.675 . . . . 0.0 111.698 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.38 -52.73 20.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.508 0.723 . . . . 0.0 110.809 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -64.03 -19.64 65.35 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.0 m -64.42 -20.06 65.92 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.355 -0.841 . . . . 0.0 112.326 173.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.9 pt -122.09 -5.09 8.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 125.739 1.616 . . . . 0.0 114.141 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 14.2 t -111.76 128.76 56.19 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.205 1.402 . . . . 0.0 112.819 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -129.96 7.66 5.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.982 1.713 . . . . 0.0 112.794 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.04 -20.6 64.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.44 0.696 . . . . 0.0 110.241 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.6 p -50.01 -18.29 0.52 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 129.367 3.067 . . . . 0.0 115.157 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.92 23.19 1.78 Allowed Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.767 1.651 . . . . 0.0 113.782 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.377 1.871 . . . . 0.0 112.694 179.037 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.9 ttt . . . . . 0 CA--C 1.546 0.809 0 CA-C-O 121.463 0.649 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.8 t -124.12 128.79 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.006 1.722 . . . . 0.0 110.915 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -61.58 147.45 45.56 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.917 1.287 . . . . 0.0 113.222 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.54 -13.21 61.72 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.018 1.327 . . . . 0.0 114.244 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.78 -70.27 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.344 1.458 . . . . 0.0 112.651 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 p -75.25 -1.95 25.8 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.5 m80 42.98 38.79 1.53 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.59 1.956 . . . . 0.0 113.816 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -119.23 166.09 13.42 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.711 2.404 . . . . 0.0 110.131 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.42 171.35 15.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.444 1.098 . . . . 0.0 112.54 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.5 t -133.3 167.49 20.3 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.113 2.165 . . . . 0.0 108.529 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -57.2 -34.41 68.49 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.869 -1.144 . . . . 0.0 112.257 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -141.3 159.42 42.25 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.314 1.445 . . . . 0.0 111.12 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.85 -11.58 60.87 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 121.488 -0.757 . . . . 0.0 112.936 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -88.01 -46.18 9.56 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.066 1.346 . . . . 0.0 111.003 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -67.29 -16.77 64.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.324 0.65 . . . . 0.0 112.071 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.23 -31.28 63.38 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.748 1.619 . . . . 0.0 112.47 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -66.32 -35.02 79.31 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.308 -0.87 . . . . 0.0 111.594 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 m -76.84 -30.39 56.31 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.145 0.978 . . . . 0.0 110.918 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -59.92 -59.88 4.72 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.802 1.641 . . . . 0.0 110.749 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 45.6 ptt85 -54.09 -42.53 69.48 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -70.54 -19.59 62.88 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 m -86.51 -44.23 12.12 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.791 0.836 . . . . 0.0 108.988 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 77.8 m -55.34 -46.28 76.4 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.926 1.69 . . . . 0.0 113.568 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.8 tp -59.13 -19.56 16.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.123 0.569 . . . . 0.0 112.482 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -107.38 6.41 28.3 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.03 2.132 . . . . 0.0 112.75 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.85 17.24 78.27 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.522 1.534 . . . . 0.0 115.725 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -116.05 153.39 31.77 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.851 1.326 . . . . 0.0 113.201 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.24 139.04 41.92 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.045 0.938 . . . . 0.0 110.384 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -62.82 -16.66 55.02 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.389 2.726 . . . . 0.0 116.252 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -135.58 -37.33 0.76 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -176.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.6 p -85.26 -6.13 59.28 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 121.821 2.1 . . . . 0.0 112.229 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.5 mmt 60.55 4.23 0.7 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 129.048 2.939 . . . . 0.0 116.708 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.7 m -57.66 144.59 37.16 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.298 1.039 . . . . 0.0 110.231 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.2 mt -120.12 136.67 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.634 1.174 . . . . 0.0 110.722 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.5 p -143.1 -173.54 3.94 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.621 2.768 . . . . 0.0 108.781 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.25 147.6 53.09 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 119.919 -1.738 . . . . 0.0 110.438 176.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.41 4.55 3.67 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.042 1.126 . . . . 0.0 114.042 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.5 p -75.41 150.32 38.36 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.918 1.287 . . . . 0.0 111.952 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.07 -41.87 89.01 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.379 -0.825 . . . . 0.0 112.08 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -59.19 -38.14 79.11 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.229 1.012 . . . . 0.0 112.838 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.48 -39.81 31.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.252 0.621 . . . . 0.0 111.685 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 75.0 mt -69.9 -42.96 72.67 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -61.46 -37.91 85.29 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.166 -0.959 . . . . 0.0 111.469 176.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.77 81.35 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.551 0.614 . . . . 0.0 111.461 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -70.86 -54.8 10.17 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.669 0.787 . . . . 0.0 111.33 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -64.24 -19.65 65.52 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.4 m -64.26 -25.48 68.07 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.268 -0.895 . . . . 0.0 111.852 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.7 pt -114.71 -13.31 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.405 1.482 . . . . 0.0 113.652 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 16.3 t -102.66 126.17 49.65 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.97 1.308 . . . . 0.0 112.038 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -131.14 11.36 5.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.316 1.846 . . . . 0.0 111.744 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.9 mt -76.25 -4.65 43.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.552 1.541 . . . . 0.0 112.069 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.8 p -54.03 10.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 131.17 3.788 . . . . 0.0 117.841 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.92 17.75 0.19 Allowed Glycine 0 CA--C 1.541 1.691 0 C-N-CA 126.511 2.005 . . . . 0.0 113.67 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.839 1.656 . . . . 0.0 115.382 -178.268 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 30.9 ttm . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.9 t -107.57 131.34 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.241 1.416 . . . . 0.0 110.866 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.6 t -62.78 144.36 56.58 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.868 1.267 . . . . 0.0 114.005 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.11 -19.72 65.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.474 1.91 . . . . 0.0 114.02 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -115.13 -72.55 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 125.317 1.447 . . . . 0.0 112.373 -175.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -68.23 -6.88 26.04 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.1 m80 47.66 32.8 2.69 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.367 1.867 . . . . 0.0 113.812 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -108.26 151.69 25.61 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.759 2.023 . . . . 0.0 109.771 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -75.64 138.3 41.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.469 0.708 . . . . 0.0 111.617 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.6 t -92.21 169.19 10.8 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.671 1.188 . . . . 0.0 111.378 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.35 -41.79 97.62 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.866 -1.147 . . . . 0.0 111.26 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -144.5 168.21 20.68 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.01 1.724 . . . . 0.0 111.833 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.17 -13.35 61.15 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.448 -0.782 . . . . 0.0 112.954 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -89.7 -44.87 9.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.144 1.377 . . . . 0.0 111.003 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.32 -23.06 67.16 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.11 0.964 . . . . 0.0 111.572 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.6 tp -53.51 -34.81 59.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.186 1.794 . . . . 0.0 112.832 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -66.37 -31.62 72.51 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.744 0.818 . . . . 0.0 112.029 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -80.12 -38.17 32.09 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.913 0.885 . . . . 0.0 110.448 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -56.44 -58.28 8.68 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.559 1.543 . . . . 0.0 110.871 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.75 -40.24 69.13 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -72.73 -24.95 61.04 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.141 0.976 . . . . 0.0 113.178 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 m -85.16 -43.59 13.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.59 0.756 . . . . 0.0 110.497 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.0 -44.23 87.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.401 1.481 . . . . 0.0 114.03 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -21.48 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 121.478 -0.764 . . . . 0.0 112.504 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -103.67 6.57 37.11 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.828 2.051 . . . . 0.0 113.055 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.72 21.46 77.92 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.256 1.408 . . . . 0.0 115.612 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -118.58 154.31 32.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.825 1.313 . . . . 0.0 113.943 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 39.0 t -80.0 136.71 53.93 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.95 1.3 . . . . 0.0 110.543 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.21 -13.08 38.3 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.111 2.541 . . . . 0.0 116.343 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -135.21 -45.09 0.7 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.5 p -81.37 -5.98 58.43 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 121.186 1.812 . . . . 0.0 112.011 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.5 mmt 61.12 10.57 2.98 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.79 2.836 . . . . 0.0 115.605 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.8 m -55.91 141.55 38.88 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.809 1.244 . . . . 0.0 110.507 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.0 mt -120.29 140.24 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.575 1.15 . . . . 0.0 110.878 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.0 t -150.82 -169.71 3.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.857 2.463 . . . . 0.0 108.91 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.13 149.49 50.46 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.057 -1.652 . . . . 0.0 110.976 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.95 3.24 7.06 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.3 p -71.26 150.73 44.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.14 0.976 . . . . 0.0 110.901 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.36 -34.34 76.49 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.151 -0.968 . . . . 0.0 112.173 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.4 m -64.9 -42.78 94.48 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.096 0.958 . . . . 0.0 112.786 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.96 72.74 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.099 0.56 . . . . 0.0 111.294 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.6 mt -67.48 -38.45 84.41 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.331 0.652 . . . . 0.0 111.447 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -63.01 -39.36 94.54 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.704 -1.248 . . . . 0.0 110.595 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.59 93.06 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.776 0.717 . . . . 0.0 110.866 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -62.09 -56.69 16.37 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.852 0.861 . . . . 0.0 110.989 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -66.07 -19.74 65.94 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.893 -1.129 . . . . 0.0 113.968 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.3 m -65.77 -19.98 66.09 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.375 -0.828 . . . . 0.0 112.208 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.4 pt -121.51 -0.91 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.871 1.668 . . . . 0.0 114.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.1 t -119.81 129.38 54.41 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.865 1.666 . . . . 0.0 112.724 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.52 9.09 4.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.064 1.746 . . . . 0.0 112.794 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.11 -5.97 53.24 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.278 1.431 . . . . 0.0 112.349 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.0 p -53.55 1.6 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 130.49 3.516 . . . . 0.0 117.598 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.21 29.82 0.23 Allowed Glycine 0 CA--C 1.537 1.411 0 C-N-CA 126.928 2.204 . . . . 0.0 112.091 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.325 1.85 . . . . 0.0 114.8 -178.684 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.091 0 CA-C-O 121.568 0.699 . . . . 0.0 112.071 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.29 139.08 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.688 1.995 . . . . 0.0 109.47 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.3 t -60.14 144.65 49.32 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.551 1.14 . . . . 0.0 113.533 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -75.38 -13.47 60.4 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.723 1.209 . . . . 0.0 113.928 177.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.9 t -114.24 -61.21 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.221 1.408 . . . . 0.0 113.237 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 p -86.03 -0.95 56.82 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 44.71 38.31 2.72 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.49 1.916 . . . . 0.0 113.544 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -114.21 158.74 20.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.861 2.064 . . . . 0.0 110.987 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -75.49 160.07 30.6 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.83 1.252 . . . . 0.0 112.155 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.9 t -132.97 164.59 26.63 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.502 1.921 . . . . 0.0 109.481 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.24 -36.17 79.24 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.756 -1.215 . . . . 0.0 113.501 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -141.46 161.46 37.85 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.384 1.074 . . . . 0.0 112.163 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.23 -16.63 63.07 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.633 0.773 . . . . 0.0 113.031 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -85.84 -46.41 10.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.728 1.211 . . . . 0.0 111.081 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -66.12 -19.0 65.71 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.242 0.617 . . . . 0.0 112.287 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 tp -56.98 -29.71 63.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.069 1.748 . . . . 0.0 112.928 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -71.18 -44.25 65.83 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.714 0.805 . . . . 0.0 110.32 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.7 m -63.47 -35.65 81.16 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.573 -0.704 . . . . 0.0 110.741 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -59.13 -60.68 3.47 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.362 1.465 . . . . 0.0 110.268 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -59.51 -37.69 78.97 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -65.42 -19.61 66.01 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.76 0.824 . . . . 0.0 113.068 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 m -96.23 -42.43 8.19 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.349 1.06 . . . . 0.0 110.088 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.7 m -55.95 -41.48 74.73 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.704 1.602 . . . . 0.0 113.38 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.8 tp -58.43 -19.51 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.839 0.856 . . . . 0.0 112.5 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -111.13 8.4 21.71 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.044 2.138 . . . . 0.0 112.507 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.19 25.74 75.19 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.22 1.391 . . . . 0.0 114.81 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -121.62 152.71 39.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.209 1.404 . . . . 0.0 113.601 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -84.13 137.61 40.01 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 124.169 0.988 . . . . 0.0 110.333 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -61.66 -18.22 58.97 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.471 2.781 . . . . 0.0 116.527 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -136.19 -38.35 0.69 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 118.016 2.598 . . . . 0.0 118.016 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.2 p -81.88 -6.25 58.94 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 121.497 1.953 . . . . 0.0 112.262 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.4 mmt 57.68 18.35 4.69 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.386 2.674 . . . . 0.0 115.561 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.8 m -63.88 143.68 57.67 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 173.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.6 mt -124.89 138.47 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.658 1.183 . . . . 0.0 110.41 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.9 t -152.49 -167.51 2.77 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.95 2.5 . . . . 0.0 109.119 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.13 150.3 48.53 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.057 -1.652 . . . . 0.0 111.246 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.81 3.09 8.66 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.4 p -72.42 151.37 42.64 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.622 1.169 . . . . 0.0 111.627 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -62.25 -36.21 81.34 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.145 -0.972 . . . . 0.0 112.0 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.9 m -62.87 -41.22 99.3 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.213 1.005 . . . . 0.0 112.844 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.1 -42.53 59.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.272 0.629 . . . . 0.0 111.687 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.37 -43.01 78.31 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.533 0.733 . . . . 0.0 112.611 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.43 -39.03 86.0 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.533 1.06 . . . . 0.0 111.382 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.13 79.48 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.44 0.564 . . . . 0.0 111.695 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -71.82 -53.64 12.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.538 0.735 . . . . 0.0 111.49 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -63.56 -19.8 65.11 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m -64.18 -19.94 65.67 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.623 -0.673 . . . . 0.0 112.497 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 pt -123.07 -1.22 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.644 1.577 . . . . 0.0 114.53 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 14.5 t -113.03 135.44 53.78 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.52 1.528 . . . . 0.0 112.46 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 6.11 4.0 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.918 1.687 . . . . 0.0 113.543 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.28 -9.47 58.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.758 0.823 . . . . 0.0 112.002 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 41.7 p -49.6 -18.15 0.4 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 128.864 2.866 . . . . 0.0 116.767 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.15 26.61 2.31 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.404 1.478 . . . . 0.0 113.308 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.998 1.719 . . . . 0.0 115.183 -179.082 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 ttt . . . . . 0 CA--C 1.546 0.811 0 CA-C-O 120.933 0.397 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.4 t -121.09 140.06 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.909 1.284 . . . . 0.0 112.591 -174.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.74 161.18 28.91 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.29 1.836 . . . . 0.0 113.362 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -85.06 -14.67 46.52 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.3 t -122.83 -62.08 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.268 1.027 . . . . 0.0 113.381 -174.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p -85.78 -0.46 55.31 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 44.7 30.09 0.49 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.346 2.258 . . . . 0.0 114.162 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -77.61 159.89 28.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.985 1.714 . . . . 0.0 111.323 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -108.89 90.39 3.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.712 1.605 . . . . 0.0 108.541 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.0 t -55.72 158.7 3.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.498 1.119 . . . . 0.0 112.817 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -54.41 -31.78 55.85 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.708 1.203 . . . . 0.0 113.747 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -141.36 158.08 44.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.401 1.48 . . . . 0.0 110.601 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.95 -10.77 60.16 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -90.79 -46.85 7.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.114 1.766 . . . . 0.0 110.931 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -27.37 69.0 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.731 1.213 . . . . 0.0 110.972 176.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.62 -33.45 64.01 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.018 1.727 . . . . 0.0 112.719 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.53 -33.29 75.34 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.503 -0.748 . . . . 0.0 111.514 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.4 m -78.63 -36.56 43.85 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.515 0.726 . . . . 0.0 110.169 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -54.58 -60.05 3.88 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.769 1.628 . . . . 0.0 110.663 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -58.0 -29.89 65.63 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -80.07 -23.12 41.56 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.068 0.947 . . . . 0.0 112.862 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 m -87.74 -39.2 15.14 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.11 0.964 . . . . 0.0 111.132 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.5 m -56.29 -44.95 80.32 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.34 1.456 . . . . 0.0 113.94 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -22.52 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.792 0.837 . . . . 0.0 112.021 177.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -101.38 6.4 42.6 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.488 1.915 . . . . 0.0 112.659 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.04 26.46 72.37 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.426 1.489 . . . . 0.0 114.587 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -122.51 154.7 37.51 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.287 1.435 . . . . 0.0 113.492 -174.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.0 t -83.38 137.5 42.18 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.632 1.173 . . . . 0.0 110.398 173.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.93 -14.7 44.68 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.197 2.598 . . . . 0.0 116.173 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -133.4 -45.34 0.83 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -177.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 p -82.33 -9.52 59.44 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 121.247 1.839 . . . . 0.0 111.941 176.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 56.0 mtt 57.54 23.46 9.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.717 2.407 . . . . 0.0 114.986 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.3 m -60.67 143.29 54.48 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.3 mt -121.89 138.23 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.283 1.033 . . . . 0.0 110.536 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.5 t -153.17 -170.46 3.62 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.449 2.3 . . . . 0.0 109.562 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.5 142.46 58.13 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.206 -1.559 . . . . 0.0 111.103 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.59 46.17 0.53 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.703 1.201 . . . . 0.0 112.775 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 39.6 p -125.1 152.09 44.85 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.01 1.724 . . . . 0.0 111.736 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -57.22 -42.54 81.55 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.55 0.74 . . . . 0.0 112.583 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 m -58.5 -40.1 81.88 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.819 0.848 . . . . 0.0 112.751 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.31 -38.7 30.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.963 0.905 . . . . 0.0 112.938 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.1 mt -76.65 -39.46 52.2 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.512 -0.742 . . . . 0.0 112.489 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -62.28 -36.94 83.65 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.888 1.222 . . . . 0.0 110.366 174.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.88 99.26 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.336 0.517 . . . . 0.0 110.894 174.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -60.42 -56.52 20.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.792 0.837 . . . . 0.0 110.894 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -66.46 -19.77 65.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -64.95 -20.34 66.42 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.357 -0.84 . . . . 0.0 112.286 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.4 pt -121.89 -1.64 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.823 1.649 . . . . 0.0 113.93 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.7 t -119.35 122.04 40.92 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.643 1.577 . . . . 0.0 113.097 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -126.33 5.52 7.0 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.246 1.818 . . . . 0.0 112.385 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 99.3 mt -66.56 -13.57 61.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.462 1.105 . . . . 0.0 111.215 172.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.2 p -55.24 -11.9 0.86 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 128.943 2.897 . . . . 0.0 114.801 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.99 26.62 2.34 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 126.087 1.803 . . . . 0.0 113.253 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.192 1.397 . . . . 0.0 114.509 -179.756 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.6 ttp . . . . . 0 CA--C 1.546 0.791 0 CA-C-O 122.364 1.078 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.3 t -110.71 134.66 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 127.148 2.179 . . . . 0.0 110.919 -175.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.38 141.56 56.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.996 1.319 . . . . 0.0 113.339 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -69.83 -12.29 61.51 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.77 -73.17 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.203 1.401 . . . . 0.0 111.846 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 p -70.49 -5.19 26.95 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.2 m80 47.61 36.95 5.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.982 1.713 . . . . 0.0 113.997 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -113.83 150.72 33.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.964 2.105 . . . . 0.0 110.207 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.33 140.44 54.31 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.745 0.818 . . . . 0.0 111.197 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 t -96.59 171.89 8.26 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.836 0.855 . . . . 0.0 111.843 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -71.72 -38.79 70.46 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.796 -1.19 . . . . 0.0 112.332 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -145.51 164.63 31.02 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.135 1.374 . . . . 0.0 111.755 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.3 -14.05 62.42 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.36 -45.18 9.18 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.425 1.49 . . . . 0.0 110.848 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -67.33 -20.55 65.61 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.119 0.568 . . . . 0.0 112.193 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.9 tp -52.48 -36.72 55.63 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.26 1.824 . . . . 0.0 113.046 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.72 -46.32 72.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.291 1.036 . . . . 0.0 110.988 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 m -63.98 -34.95 79.14 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.46 -0.775 . . . . 0.0 111.155 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -60.76 -60.33 3.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.365 1.466 . . . . 0.0 110.445 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -57.95 -38.6 76.28 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -70.01 -19.75 63.31 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 m -88.14 -46.24 9.45 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.531 -0.73 . . . . 0.0 109.471 174.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.0 m -54.61 -45.82 73.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.851 1.66 . . . . 0.0 113.651 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.6 tp -58.19 -19.56 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.813 0.845 . . . . 0.0 112.559 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -110.23 5.57 21.91 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.904 2.082 . . . . 0.0 113.036 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.26 11.37 85.01 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.842 1.211 . . . . 0.0 115.576 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -106.49 159.86 15.84 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.793 1.297 . . . . 0.0 112.638 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 48.2 t -107.26 131.32 21.8 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 126.371 1.869 . . . . 0.0 110.9 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -57.74 154.61 36.44 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.467 2.111 . . . . 0.0 112.756 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 51.5 -24.8 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 120.109 3.374 . . . . 0.0 120.109 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.96 -15.48 18.29 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 121.009 1.731 . . . . 0.0 111.341 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 mpt? 59.39 11.21 2.11 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.734 2.814 . . . . 0.0 116.377 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 95.0 m -57.7 142.57 44.72 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.598 1.09 . . . . 0.0 110.466 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.0 mt -122.65 140.6 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.504 1.122 . . . . 0.0 111.287 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.0 t -150.35 -168.82 3.21 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.142 2.577 . . . . 0.0 109.034 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.19 148.78 51.34 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 119.995 -1.691 . . . . 0.0 110.975 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.01 4.42 5.47 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.7 p -75.03 145.24 42.58 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.694 1.198 . . . . 0.0 111.057 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -40.32 72.3 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.275 -0.89 . . . . 0.0 113.396 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 56.3 m -63.52 -41.44 98.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.678 1.191 . . . . 0.0 112.723 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.68 -40.76 69.38 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.125 0.57 . . . . 0.0 111.439 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.26 -46.03 78.51 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.603 0.761 . . . . 0.0 111.495 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -57.9 -40.07 79.42 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.812 0.845 . . . . 0.0 111.684 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.47 71.02 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.363 0.528 . . . . 0.0 111.976 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -77.7 -51.39 10.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.979 0.511 . . . . 0.0 111.319 175.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.55 -20.96 65.19 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -62.76 -21.33 65.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.695 0.798 . . . . 0.0 112.406 173.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.31 -1.33 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 126.152 1.781 . . . . 0.0 114.089 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.2 t -120.31 130.44 54.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.228 1.411 . . . . 0.0 113.839 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -132.89 6.69 3.98 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.221 1.808 . . . . 0.0 112.859 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.95 -18.97 64.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.076 0.951 . . . . 0.0 111.047 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.3 p -44.98 -23.37 0.14 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 129.687 3.195 . . . . 0.0 116.178 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.94 31.76 1.32 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.618 1.58 . . . . 0.0 112.916 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 125.335 1.454 . . . . 0.0 112.369 -177.483 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.6 ttt . . . . . 0 CA--C 1.549 0.922 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 63.7 t -99.94 131.43 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.011 1.324 . . . . 0.0 110.746 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.59 146.31 52.27 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.585 1.554 . . . . 0.0 113.588 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -70.8 -16.0 62.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.11 1.364 . . . . 0.0 114.66 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -112.96 -73.58 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.019 1.328 . . . . 0.0 112.153 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.5 p -70.55 -3.98 20.74 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.8 m80 45.71 39.5 5.19 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.435 1.894 . . . . 0.0 113.501 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -121.72 168.3 11.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.462 2.305 . . . . 0.0 110.796 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -86.79 167.96 13.93 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.829 1.252 . . . . 0.0 111.559 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.8 t -128.8 171.62 12.08 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.136 1.775 . . . . 0.0 110.075 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -54.98 -38.78 68.27 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.128 -0.982 . . . . 0.0 112.144 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.74 162.99 34.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.736 1.614 . . . . 0.0 110.555 175.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.48 -11.77 61.1 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -94.14 -43.64 8.38 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.5 1.52 . . . . 0.0 111.102 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.62 -20.72 65.9 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.338 0.655 . . . . 0.0 111.529 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.0 tp -54.34 -30.24 50.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.559 1.943 . . . . 0.0 112.856 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.88 -37.64 88.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.741 0.817 . . . . 0.0 111.416 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -73.86 -35.97 64.8 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.119 -0.988 . . . . 0.0 110.144 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -57.26 -60.21 3.96 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.254 1.422 . . . . 0.0 111.066 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -57.78 -37.51 73.85 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.9 -22.02 62.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.244 0.617 . . . . 0.0 112.449 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 m -84.92 -46.22 11.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.469 0.708 . . . . 0.0 109.625 174.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.0 m -51.8 -47.73 64.15 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.431 1.492 . . . . 0.0 113.946 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.9 tp -59.06 -19.31 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 124.119 0.968 . . . . 0.0 112.675 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -111.11 6.59 20.92 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 127.168 2.187 . . . . 0.0 112.843 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.11 13.7 82.49 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.77 1.176 . . . . 0.0 114.906 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -99.5 157.35 16.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.808 1.643 . . . . 0.0 112.325 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 42.7 t -104.75 133.74 20.01 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.832 1.653 . . . . 0.0 108.647 171.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -64.87 155.42 67.81 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 121.806 1.671 . . . . 0.0 111.426 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 50.73 -6.71 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 p -120.62 -14.92 8.55 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.843 1.657 . . . . 0.0 111.893 173.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 54.4 21.88 3.49 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.409 2.684 . . . . 0.0 116.144 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.8 m -63.94 140.17 58.84 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.055 -1.028 . . . . 0.0 108.905 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.9 mm -111.43 134.68 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.215 1.006 . . . . 0.0 111.163 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.2 p -145.49 -175.15 4.61 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.722 2.809 . . . . 0.0 109.044 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -69.78 145.99 51.77 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 119.975 -1.703 . . . . 0.0 111.007 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.11 40.45 0.21 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.696 1.599 . . . . 0.0 114.011 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.9 p -122.58 148.92 44.65 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.206 1.802 . . . . 0.0 110.801 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -57.4 -38.12 73.79 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.098 -1.001 . . . . 0.0 113.074 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m -61.23 -39.86 91.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.981 0.912 . . . . 0.0 112.877 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.32 -42.75 22.42 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.713 0.805 . . . . 0.0 112.38 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.23 -46.43 77.23 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.063 0.945 . . . . 0.0 112.049 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -58.96 -36.75 75.35 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.1 -1.0 . . . . 0.0 112.584 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.43 71.25 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.853 -0.529 . . . . 0.0 112.02 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -75.07 -48.03 25.91 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.8 -0.563 . . . . 0.0 111.03 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -62.8 -20.44 65.03 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.969 -1.082 . . . . 0.0 113.579 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.8 m -64.24 -19.97 65.73 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.487 0.715 . . . . 0.0 112.276 174.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.1 pt -126.27 -5.79 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 126.14 1.776 . . . . 0.0 114.101 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 19.5 t -107.39 133.48 51.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.432 1.493 . . . . 0.0 113.341 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -128.17 -2.36 5.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.082 2.153 . . . . 0.0 113.377 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.95 -7.54 53.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.04 1.336 . . . . 0.0 113.334 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.5 p -50.41 -18.04 0.57 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.37 2.268 . . . . 0.0 116.187 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.22 34.56 1.4 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.395 1.95 . . . . 0.0 112.165 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.724 2.009 . . . . 0.0 115.176 -178.753 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.8 t -91.31 129.61 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.422 1.489 . . . . 0.0 110.551 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.99 143.58 42.68 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.884 1.274 . . . . 0.0 113.7 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.32 -16.47 63.56 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.359 1.464 . . . . 0.0 114.601 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -116.09 -58.71 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.113 1.365 . . . . 0.0 113.592 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.2 p -84.23 0.35 49.18 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 41.48 40.31 1.28 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.658 1.983 . . . . 0.0 114.25 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -116.52 147.74 41.49 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.272 2.229 . . . . 0.0 109.458 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.74 129.14 38.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.376 -0.827 . . . . 0.0 110.156 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.5 t -74.44 163.54 27.65 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.35 -45.55 93.06 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.392 1.077 . . . . 0.0 111.371 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.77 165.49 28.67 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.619 1.568 . . . . 0.0 111.522 177.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.93 -18.04 64.64 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -83.67 -43.62 15.37 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.778 1.631 . . . . 0.0 111.057 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -72.44 -17.84 61.75 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.4 tp -43.03 -50.21 5.99 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.823 2.449 . . . . 0.0 115.383 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -73.98 -40.25 63.12 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.476 -0.765 . . . . 0.0 111.899 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.9 m -59.61 -32.61 70.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.305 0.642 . . . . 0.0 111.529 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -61.83 -60.24 3.95 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.985 1.314 . . . . 0.0 111.072 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -57.94 -35.38 71.03 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.83 -20.19 65.61 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.26 1.024 . . . . 0.0 113.484 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.8 m -102.2 -36.18 8.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.945 0.898 . . . . 0.0 110.863 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 79.0 m -55.51 -45.12 77.13 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.54 1.136 . . . . 0.0 112.393 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.63 -19.44 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 124.363 1.065 . . . . 0.0 112.915 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -110.17 5.96 22.34 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 127.065 2.146 . . . . 0.0 112.973 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.84 26.21 74.66 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.778 1.18 . . . . 0.0 114.738 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -120.64 146.27 46.57 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.384 1.474 . . . . 0.0 113.408 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.5 t -76.84 134.81 68.21 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-O 118.74 -0.648 . . . . 0.0 109.563 172.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.53 -12.69 36.19 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.073 2.516 . . . . 0.0 116.006 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -136.43 -43.39 0.62 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.44 -6.4 59.27 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 121.226 1.83 . . . . 0.0 112.305 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.8 mmt 59.09 18.67 6.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.394 2.678 . . . . 0.0 115.365 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 m -58.11 138.28 56.24 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.677 0.791 . . . . 0.0 109.742 174.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.6 mm -113.22 135.13 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.939 1.296 . . . . 0.0 110.723 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.7 t -156.8 -168.9 2.8 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.083 2.153 . . . . 0.0 109.339 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -69.63 153.65 43.13 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.164 -1.585 . . . . 0.0 111.661 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.67 4.61 9.1 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.948 0.899 . . . . 0.0 113.323 177.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.2 p -78.37 153.12 31.89 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.172 1.389 . . . . 0.0 112.713 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.94 -43.04 95.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.778 0.831 . . . . 0.0 112.013 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m -59.13 -36.18 74.77 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.822 0.849 . . . . 0.0 112.705 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.22 -41.29 25.42 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.682 0.793 . . . . 0.0 112.218 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.45 -38.59 62.94 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -63.32 -40.82 98.39 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.584 -1.322 . . . . 0.0 110.629 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.0 75.04 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.045 0.538 . . . . 0.0 111.461 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -65.76 -56.83 9.93 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.928 0.891 . . . . 0.0 111.191 174.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -66.19 -20.66 66.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -64.39 -19.73 65.68 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.168 -0.958 . . . . 0.0 112.453 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.7 pt -121.83 -2.02 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.59 1.556 . . . . 0.0 114.206 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.5 t -118.12 125.33 50.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.558 1.543 . . . . 0.0 112.744 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -130.76 16.15 5.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.236 1.814 . . . . 0.0 112.2 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.15 -12.18 59.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.135 1.374 . . . . 0.0 110.874 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 p -55.29 0.59 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 130.53 3.532 . . . . 0.0 117.418 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.18 28.83 0.89 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.073 1.797 . . . . 0.0 112.807 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.094 1.358 . . . . 0.0 112.691 -177.765 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.5 ttt . . . . . 0 CA--C 1.552 1.024 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.2 t -103.26 133.44 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.303 1.441 . . . . 0.0 111.495 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -63.73 144.98 56.6 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.624 1.57 . . . . 0.0 113.235 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -70.2 -12.0 61.29 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -116.02 -71.51 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 124.812 1.245 . . . . 0.0 112.199 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 p -72.7 -2.16 19.15 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.2 m80 43.33 40.19 2.46 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.477 1.911 . . . . 0.0 113.564 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -123.05 164.55 18.38 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.785 2.434 . . . . 0.0 110.46 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.43 173.68 12.36 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.803 1.241 . . . . 0.0 112.222 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.6 t -132.88 164.19 27.46 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.349 1.86 . . . . 0.0 109.181 176.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -55.38 -32.05 62.29 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.253 -0.904 . . . . 0.0 112.317 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.24 158.1 44.1 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.447 1.499 . . . . 0.0 110.769 174.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.72 -11.09 60.48 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -90.78 -45.28 8.91 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.491 1.516 . . . . 0.0 111.198 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -66.44 -17.13 64.61 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.342 0.657 . . . . 0.0 112.089 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.2 tp -55.15 -31.91 61.69 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.99 1.716 . . . . 0.0 112.693 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.97 -34.56 76.79 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.113 -0.992 . . . . 0.0 111.708 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 m -75.25 -33.64 61.33 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.361 -0.837 . . . . 0.0 110.054 173.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -56.09 -59.4 4.98 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.568 1.547 . . . . 0.0 110.288 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -56.69 -38.81 72.76 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -69.51 -19.9 63.72 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.747 0.819 . . . . 0.0 112.872 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -91.19 -43.03 10.1 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.159 0.984 . . . . 0.0 109.699 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.6 m -55.21 -45.6 75.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.851 1.66 . . . . 0.0 113.355 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.9 tp -59.03 -19.46 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.653 0.781 . . . . 0.0 112.346 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -110.6 7.24 22.34 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.269 2.228 . . . . 0.0 112.599 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.36 20.62 78.35 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.577 1.56 . . . . 0.0 115.761 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -117.53 158.02 25.29 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.349 1.575 . . . . 0.0 113.641 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.9 t -89.96 137.01 28.39 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 125.126 1.37 . . . . 0.0 110.56 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.55 -13.94 42.35 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.432 2.755 . . . . 0.0 116.644 -177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -132.26 -42.61 0.97 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -176.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.4 p -84.02 -6.2 59.37 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 121.153 1.797 . . . . 0.0 112.158 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.38 7.32 1.26 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.746 2.818 . . . . 0.0 115.918 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 56.6 m -57.91 144.72 38.1 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.598 1.159 . . . . 0.0 110.477 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.5 mt -121.75 138.21 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.552 1.141 . . . . 0.0 110.814 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.2 p -142.22 -174.27 4.06 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.948 2.899 . . . . 0.0 108.715 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 mp0 -65.62 150.48 48.37 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.174 -1.579 . . . . 0.0 109.256 172.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.31 7.18 3.68 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.7 p -78.52 151.06 32.74 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.923 1.289 . . . . 0.0 112.205 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.35 -41.68 89.76 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.321 -0.862 . . . . 0.0 112.215 178.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.4 m -59.41 -38.12 79.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.265 1.026 . . . . 0.0 112.701 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.04 -39.66 29.38 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.521 0.728 . . . . 0.0 112.068 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.4 mt -72.33 -43.04 64.7 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -59.22 -40.94 87.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.617 1.098 . . . . 0.0 111.323 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.39 71.26 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.048 0.539 . . . . 0.0 111.928 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.05 -43.73 42.49 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.383 0.673 . . . . 0.0 112.385 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -68.98 -19.57 64.16 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.109 -1.619 . . . . 0.0 112.814 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.3 m -73.25 -19.45 61.06 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.306 -0.872 . . . . 0.0 110.412 169.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -95.9 -30.48 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 128.949 2.9 . . . . 0.0 111.804 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.6 t -114.24 141.31 47.72 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.169 1.787 . . . . 0.0 114.911 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -139.01 7.24 2.44 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.58 1.952 . . . . 0.0 112.57 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 99.4 mt -75.62 -5.97 48.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.955 1.302 . . . . 0.0 112.816 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 64.0 p -55.5 5.11 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 129.921 3.289 . . . . 0.0 117.57 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.74 28.29 0.19 Allowed Glycine 0 CA--C 1.535 1.321 0 C-N-CA 126.491 1.996 . . . . 0.0 112.48 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.63 1.572 . . . . 0.0 114.662 -178.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.1 ttt . . . . . 0 CA--C 1.548 0.868 0 CA-C-O 121.401 0.619 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.3 t -125.38 138.55 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.398 1.479 . . . . 0.0 111.066 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.41 150.66 21.78 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.421 1.488 . . . . 0.0 114.085 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.25 -14.26 57.63 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.649 1.18 . . . . 0.0 113.898 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.85 -65.53 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.984 1.314 . . . . 0.0 113.13 -177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.64 -9.19 59.6 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.309 1.4 t60 49.94 38.16 15.58 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.412 1.885 . . . . 0.0 114.771 -177.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -109.78 160.22 16.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.526 1.93 . . . . 0.0 110.645 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -75.73 160.23 30.25 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.61 1.164 . . . . 0.0 111.612 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.1 t -129.11 165.84 20.47 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.539 1.535 . . . . 0.0 111.061 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -53.43 -43.75 68.27 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.243 1.417 . . . . 0.0 113.013 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 p -143.8 165.28 28.13 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.126 1.37 . . . . 0.0 111.318 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.47 -14.31 62.91 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -90.19 -45.2 9.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.352 1.461 . . . . 0.0 110.512 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -66.43 -17.63 64.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.526 0.731 . . . . 0.0 111.878 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.24 -34.14 68.28 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.872 1.669 . . . . 0.0 112.554 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.92 -45.39 82.04 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.362 0.665 . . . . 0.0 110.209 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.1 m -62.02 -31.21 71.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.656 1.182 . . . . 0.0 111.591 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -68.02 -60.61 2.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.064 1.346 . . . . 0.0 110.497 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -59.64 -39.84 85.69 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -68.2 -19.62 64.78 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.062 0.846 . . . . 0.0 113.008 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 m -87.15 -46.41 9.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.526 0.73 . . . . 0.0 109.825 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 93.2 m -53.11 -44.52 67.7 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.173 1.389 . . . . 0.0 113.832 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.9 tp -58.93 -19.56 15.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.823 0.849 . . . . 0.0 112.733 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -113.2 7.26 17.8 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.966 2.107 . . . . 0.0 112.742 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.57 8.7 84.37 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.353 1.454 . . . . 0.0 115.987 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -90.82 153.84 19.94 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.699 1.599 . . . . 0.0 111.897 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 52.8 t -107.61 131.39 21.76 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.516 1.926 . . . . 0.0 108.688 171.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -64.32 155.86 63.23 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.128 1.885 . . . . 0.0 111.755 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 53.42 -40.85 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 130.224 3.41 . . . . 0.0 119.249 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -84.93 -13.62 50.23 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 121.781 2.082 . . . . 0.0 111.914 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.3 mmt 57.42 24.59 10.35 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.787 2.835 . . . . 0.0 116.657 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.2 m -66.1 147.1 53.85 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.308 -0.87 . . . . 0.0 109.374 173.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.0 mt -131.7 139.38 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.385 1.074 . . . . 0.0 110.256 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.4 t -148.33 -167.73 2.89 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.744 1.618 . . . . 0.0 112.607 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -53.63 -8.08 0.14 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 129.812 3.245 . . . . 0.0 118.982 -174.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 65.82 8.63 5.43 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.2 p -90.45 150.55 21.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.356 1.062 . . . . 0.0 110.308 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.74 -32.12 67.13 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.931 -1.105 . . . . 0.0 112.807 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -68.23 -44.98 74.5 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.089 0.956 . . . . 0.0 111.848 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.68 78.93 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.226 0.61 . . . . 0.0 111.965 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.23 -48.11 58.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -59.9 -37.0 78.15 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.341 0.973 . . . . 0.0 111.849 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.15 -35.42 77.06 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.536 0.607 . . . . 0.0 111.699 175.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -72.71 -49.1 33.45 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.775 -0.578 . . . . 0.0 110.982 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -63.35 -19.85 65.0 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.3 m -63.45 -20.98 66.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.466 0.706 . . . . 0.0 111.978 172.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.4 pt -123.58 -5.0 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 C-N-CA 126.409 1.884 . . . . 0.0 114.017 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 15.5 t -116.67 125.13 51.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.485 1.514 . . . . 0.0 114.309 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -128.78 11.79 6.19 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.716 1.606 . . . . 0.0 112.965 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.0 mp -75.34 -8.89 57.86 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.857 1.263 . . . . 0.0 111.37 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.4 p -47.05 -16.34 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 130.387 3.475 . . . . 0.0 117.96 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.26 32.65 1.96 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.717 1.627 . . . . 0.0 112.58 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.346 0 CA-C-O 115.895 -2.002 . . . . 0.0 115.727 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt . . . . . 0 CA--C 1.548 0.892 0 CA-C-O 121.066 0.46 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 t -126.46 137.94 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.167 1.387 . . . . 0.0 111.53 -175.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.64 151.12 25.55 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.75 1.62 . . . . 0.0 114.085 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -83.29 -9.34 59.16 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.735 1.214 . . . . 0.0 114.079 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -116.71 -60.82 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.996 1.318 . . . . 0.0 113.348 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.0 p -86.38 -7.23 58.62 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.324 1.8 t60 47.71 39.96 11.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.395 1.878 . . . . 0.0 115.308 -176.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -114.5 160.35 19.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.571 1.948 . . . . 0.0 110.389 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.7 170.5 16.56 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.554 1.142 . . . . 0.0 112.539 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.3 t -134.78 169.82 16.78 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.963 1.705 . . . . 0.0 110.786 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -55.6 -40.65 72.35 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.75 1.22 . . . . 0.0 112.302 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 p -142.59 164.31 30.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.621 1.568 . . . . 0.0 111.358 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.62 -13.45 61.76 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 121.566 -0.709 . . . . 0.0 112.903 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -88.28 -46.28 9.34 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.567 1.547 . . . . 0.0 110.769 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -18.28 65.18 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.455 1.102 . . . . 0.0 111.661 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.37 -31.68 66.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.396 1.478 . . . . 0.0 112.286 175.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.16 -46.06 82.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.479 -0.763 . . . . 0.0 110.028 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 m -62.42 -31.93 72.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.021 0.929 . . . . 0.0 111.239 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -64.96 -60.65 2.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.007 1.323 . . . . 0.0 110.518 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -59.16 -41.02 87.39 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.89 -19.58 64.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.008 0.822 . . . . 0.0 113.02 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 m -87.26 -46.14 9.98 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.432 0.693 . . . . 0.0 109.477 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -53.67 -45.23 70.22 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.525 1.53 . . . . 0.0 113.575 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.1 tp -58.33 -19.51 13.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.723 0.809 . . . . 0.0 112.623 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -110.55 6.35 21.86 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.189 2.196 . . . . 0.0 112.852 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.76 15.99 80.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.873 1.225 . . . . 0.0 115.001 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.09 161.28 15.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.308 1.443 . . . . 0.0 112.579 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 50.9 t -108.52 136.9 19.87 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 126.393 1.877 . . . . 0.0 110.396 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -65.25 157.15 59.22 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.39 2.06 . . . . 0.0 111.407 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 52.78 -28.76 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 129.787 3.235 . . . . 0.0 119.564 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.1 p -96.47 -18.24 19.99 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 121.604 2.002 . . . . 0.0 110.985 172.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.3 mtt 58.77 14.39 3.19 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 128.558 2.743 . . . . 0.0 116.383 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.4 m -60.82 144.35 52.79 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.054 0.942 . . . . 0.0 110.294 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.7 mt -121.45 142.15 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.663 1.185 . . . . 0.0 111.403 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.2 t -149.42 -167.11 2.74 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 128.616 2.767 . . . . 0.0 108.455 176.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.76 148.86 48.62 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 119.842 -1.786 . . . . 0.0 111.001 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.29 5.23 4.72 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.9 p -76.46 149.32 36.82 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.518 1.127 . . . . 0.0 111.626 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -58.24 -41.67 84.68 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.161 -0.962 . . . . 0.0 112.191 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 m -59.72 -39.4 84.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.185 0.994 . . . . 0.0 112.754 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.78 -38.45 46.68 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.454 0.701 . . . . 0.0 111.89 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.7 mt -69.97 -47.21 63.18 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.785 -0.572 . . . . 0.0 111.758 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -59.73 -36.15 76.0 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.145 0.884 . . . . 0.0 111.701 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.64 85.46 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.532 0.605 . . . . 0.0 111.18 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -72.7 -46.74 52.14 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.834 -0.542 . . . . 0.0 111.447 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -64.32 -20.71 66.27 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.478 -1.389 . . . . 0.0 113.717 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t -74.18 -19.68 60.46 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.088 0.955 . . . . 0.0 112.028 171.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.95 -34.46 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 127.838 2.455 . . . . 0.0 112.053 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.7 t -97.87 147.33 24.55 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -169.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.72 7.48 1.68 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.119 2.168 . . . . 0.0 112.918 175.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.1 mp -83.83 -6.76 59.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.239 1.416 . . . . 0.0 112.881 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.4 p -48.74 -17.68 0.2 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 128.371 2.669 . . . . 0.0 117.194 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.83 30.79 1.37 Allowed Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.812 1.672 . . . . 0.0 112.685 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.5 ptt85 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 125.982 1.713 . . . . 0.0 114.886 -179.285 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt . . . . . 0 CA--C 1.553 1.076 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.8 t -117.86 139.19 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.125 1.37 . . . . 0.0 111.9 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.3 t -60.94 145.28 51.03 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.087 1.755 . . . . 0.0 113.636 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.31 -13.8 60.45 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 80.2 t -113.3 -61.44 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.737 1.215 . . . . 0.0 113.441 -176.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 p -89.03 0.7 56.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 45.11 40.13 4.51 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.505 1.922 . . . . 0.0 113.682 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -116.37 166.44 12.06 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.098 2.159 . . . . 0.0 111.144 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -90.24 167.81 12.41 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.043 1.337 . . . . 0.0 111.856 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.1 t -133.17 164.05 27.91 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.195 1.798 . . . . 0.0 110.153 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.39 -33.75 68.16 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -142.5 158.56 43.56 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.887 1.275 . . . . 0.0 111.588 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.87 -16.46 64.1 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -48.97 9.06 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.509 1.524 . . . . 0.0 109.071 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.05 -15.2 63.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.824 0.85 . . . . 0.0 111.76 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.04 -28.93 70.13 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.89 1.276 . . . . 0.0 111.368 172.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.6 -36.27 70.76 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.813 -1.179 . . . . 0.0 109.613 172.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -67.57 -32.48 73.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.966 1.306 . . . . 0.0 110.691 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -64.35 -63.54 1.11 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.348 1.859 . . . . 0.0 111.357 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -57.39 -39.92 77.13 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -68.14 -18.51 64.64 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -94.65 -40.43 9.82 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.332 1.053 . . . . 0.0 110.258 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 92.0 m -55.54 -41.14 72.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.566 1.546 . . . . 0.0 113.525 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.8 tt -58.11 -19.8 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -111.43 9.6 21.42 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.276 1.831 . . . . 0.0 112.518 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.8 25.41 74.15 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.083 1.325 . . . . 0.0 114.673 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -117.23 148.77 41.35 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.276 1.43 . . . . 0.0 113.591 -174.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.2 t -79.95 135.61 55.1 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.097 0.959 . . . . 0.0 110.835 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -50.39 -33.21 36.65 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 124.556 3.504 . . . . 0.0 117.853 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -139.47 -25.95 0.83 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 -175.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -5.53 59.17 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.545 1.975 . . . . 0.0 112.813 177.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.7 mmt 62.66 13.4 6.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.261 2.624 . . . . 0.0 115.25 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.1 m -64.15 141.72 58.67 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.193 -0.942 . . . . 0.0 109.51 174.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.7 mt -129.3 139.29 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.848 1.259 . . . . 0.0 110.091 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.8 t -152.45 -166.73 2.55 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.764 2.426 . . . . 0.0 109.131 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -65.29 152.25 44.21 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.255 -1.528 . . . . 0.0 111.918 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.32 0.63 16.08 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.0 p -71.77 148.55 46.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.906 1.282 . . . . 0.0 111.824 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -38.99 79.45 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.554 -0.716 . . . . 0.0 112.34 177.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -60.12 -44.45 94.88 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.933 0.893 . . . . 0.0 112.952 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.5 -42.99 70.6 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.612 -0.68 . . . . 0.0 111.897 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.5 mt -68.79 -39.16 80.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.19 0.596 . . . . 0.0 112.21 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -62.94 -39.21 93.93 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.758 -1.214 . . . . 0.0 110.737 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.87 93.62 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.499 0.591 . . . . 0.0 110.868 174.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -63.25 -56.66 14.74 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.799 0.84 . . . . 0.0 111.104 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -65.16 -19.7 66.1 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.925 -1.109 . . . . 0.0 113.948 -177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.3 m -66.15 -19.94 65.99 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.383 -0.823 . . . . 0.0 112.273 172.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 pp -121.21 1.36 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.753 1.621 . . . . 0.0 114.212 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.8 t -124.78 134.15 52.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.965 1.706 . . . . 0.0 112.819 -178.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -128.89 -0.23 5.33 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.821 1.648 . . . . 0.0 113.724 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.3 -5.25 34.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.698 1.199 . . . . 0.0 112.537 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.2 p -50.51 -25.29 3.88 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.415 2.686 . . . . 0.0 115.685 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.22 33.84 0.38 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.648 1.118 . . . . 0.0 113.474 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.98 2.112 . . . . 0.0 110.824 -177.384 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 tpt . . . . . 0 CA--C 1.546 0.814 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 t -128.47 126.89 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.102 1.361 . . . . 0.0 111.482 -176.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.39 148.17 38.18 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.26 1.424 . . . . 0.0 114.655 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.81 -12.48 60.7 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.912 1.685 . . . . 0.0 114.284 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.86 -66.16 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.502 1.521 . . . . 0.0 112.917 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.58 -8.89 59.76 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.289 0.1 OUTLIER 52.33 34.68 15.4 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.249 1.42 . . . . 0.0 114.529 -177.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -118.27 159.29 23.61 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.505 2.322 . . . . 0.0 109.786 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -79.73 171.9 14.51 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.498 1.119 . . . . 0.0 113.145 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.7 t -123.9 178.43 5.27 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.155 2.182 . . . . 0.0 109.346 177.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.02 -35.79 77.82 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.451 -1.405 . . . . 0.0 111.059 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 p -140.64 160.4 40.11 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.858 1.663 . . . . 0.0 111.354 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.18 -13.38 62.16 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -86.73 -45.65 10.76 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.365 1.466 . . . . 0.0 111.11 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.13 -12.49 61.64 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.3 tp -57.55 -30.94 65.63 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.385 1.474 . . . . 0.0 112.087 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.83 -37.4 87.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.749 1.22 . . . . 0.0 111.023 175.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.8 m -77.0 -33.46 57.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.219 1.007 . . . . 0.0 110.825 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -56.16 -60.01 4.1 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.761 1.624 . . . . 0.0 110.003 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -56.83 -37.55 71.38 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.87 -19.28 65.01 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.407 1.083 . . . . 0.0 113.044 177.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.5 m -95.25 -41.01 9.27 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.676 1.191 . . . . 0.0 110.034 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.7 m -55.71 -41.57 73.99 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.767 1.627 . . . . 0.0 113.416 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.1 tt -58.22 -19.7 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 123.639 0.776 . . . . 0.0 112.98 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -112.4 9.93 19.77 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.462 1.905 . . . . 0.0 112.444 176.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.45 24.32 77.01 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.479 1.514 . . . . 0.0 115.761 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -119.11 152.52 36.36 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.705 1.602 . . . . 0.0 114.128 -175.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.1 t -81.42 138.09 48.26 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.779 1.232 . . . . 0.0 111.156 174.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -65.35 -13.26 38.84 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.694 2.929 . . . . 0.0 116.136 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -132.46 -43.81 0.92 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 116.976 2.213 . . . . 0.0 116.976 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.4 p -84.28 -5.98 59.33 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 121.351 1.887 . . . . 0.0 112.236 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.0 mmt 59.7 8.49 1.32 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.62 2.768 . . . . 0.0 115.621 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.1 m -59.83 145.1 46.73 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.589 1.156 . . . . 0.0 110.195 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.6 mt -125.01 138.01 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.967 1.307 . . . . 0.0 110.001 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.1 p -131.58 -84.01 0.51 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.913 1.285 . . . . 0.0 108.895 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -152.31 156.46 39.68 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.265 2.226 . . . . 0.0 109.837 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.79 -0.68 21.9 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.1 p -73.81 146.98 43.79 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.218 1.007 . . . . 0.0 111.37 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.84 -31.97 72.26 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.149 -0.97 . . . . 0.0 111.534 176.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.8 m -63.07 -44.0 96.99 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.477 1.111 . . . . 0.0 112.701 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.97 -41.33 59.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.226 0.61 . . . . 0.0 111.633 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.93 -44.72 76.18 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.641 0.776 . . . . 0.0 112.584 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.56 -39.34 87.65 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.023 1.283 . . . . 0.0 111.342 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.43 94.19 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.188 0.449 . . . . 0.0 111.105 175.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -69.47 -50.65 43.45 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.257 0.623 . . . . 0.0 111.942 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -65.45 -19.87 66.12 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.441 -1.412 . . . . 0.0 113.733 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -72.49 -19.56 61.53 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.539 0.736 . . . . 0.0 111.669 170.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.25 -35.36 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 127.977 2.511 . . . . 0.0 111.452 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.0 t -95.42 125.66 40.19 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 -169.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -117.81 1.85 12.16 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.88 2.072 . . . . 0.0 111.965 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.9 -5.56 41.86 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.403 1.481 . . . . 0.0 112.758 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.8 p -56.39 13.49 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 130.048 3.339 . . . . 0.0 117.414 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.26 23.54 0.11 Allowed Glycine 0 CA--C 1.54 1.603 0 C-N-CA 127.484 2.469 . . . . 0.0 112.742 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.545 1.538 . . . . 0.0 114.578 -178.584 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 ttt . . . . . 0 CA--C 1.545 0.777 0 CA-C-O 121.02 0.438 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.4 t -125.33 135.86 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.257 1.423 . . . . 0.0 111.467 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.8 t -64.09 144.74 56.88 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.036 1.335 . . . . 0.0 112.618 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.43 -14.05 62.39 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.0 1.32 . . . . 0.0 114.196 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.26 -71.75 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 125.207 1.403 . . . . 0.0 112.878 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 p -72.82 -4.01 29.01 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.251 51.6 m80 47.87 35.28 4.67 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.02 2.128 . . . . 0.0 114.326 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -118.62 163.09 17.33 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.333 2.253 . . . . 0.0 110.223 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -80.51 168.31 19.09 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.185 0.994 . . . . 0.0 112.847 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.8 t -119.32 167.3 12.02 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.235 1.814 . . . . 0.0 109.123 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -55.03 -35.87 64.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.236 -0.915 . . . . 0.0 112.178 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 p -141.77 162.33 35.75 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.503 1.521 . . . . 0.0 111.199 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.95 -16.8 62.1 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 121.44 -0.788 . . . . 0.0 112.423 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -79.9 -47.56 14.87 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.849 1.66 . . . . 0.0 111.11 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -75.6 -4.67 41.38 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 tp -57.2 -33.03 67.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.095 1.358 . . . . 0.0 112.404 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.64 -50.61 64.38 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.589 -0.695 . . . . 0.0 109.42 173.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 m -55.3 -35.46 65.12 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.26 1.024 . . . . 0.0 111.479 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -61.35 -60.17 4.15 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.037 1.335 . . . . 0.0 110.576 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -60.01 -36.97 78.36 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -68.17 -19.99 64.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.868 0.758 . . . . 0.0 112.781 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.8 m -88.77 -45.03 10.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.655 0.782 . . . . 0.0 109.737 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.9 m -55.84 -44.68 78.22 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.525 1.53 . . . . 0.0 113.378 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.6 tp -59.46 -19.38 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 123.522 0.729 . . . . 0.0 112.485 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -108.19 6.75 27.02 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.053 2.141 . . . . 0.0 112.736 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.29 23.87 77.27 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.311 1.434 . . . . 0.0 115.706 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -122.97 159.35 28.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.905 1.682 . . . . 0.0 113.268 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.437 ' SG ' ' CE1' ' A' ' 90' ' ' HIS . 43.3 t -94.03 137.94 22.81 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.348 1.459 . . . . 0.0 111.793 175.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -64.98 148.78 89.89 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 121.371 1.381 . . . . 0.0 109.799 173.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 53.76 -42.52 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 129.485 3.114 . . . . 0.0 118.569 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -25.6 56.19 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 121.313 1.87 . . . . 0.0 111.037 175.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . 0.25 61.2 mtt 61.91 13.64 5.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.927 2.491 . . . . 0.0 116.303 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.9 m -58.78 140.94 54.34 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.111 0.964 . . . . 0.0 110.155 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.0 mt -121.83 142.91 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.877 1.271 . . . . 0.0 110.712 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 81' ' ' GLU . 4.5 t -144.09 -89.22 0.12 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.781 1.232 . . . . 0.0 109.479 174.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.537 ' H ' HG23 ' A' ' 80' ' ' THR . 51.6 mm-40 -149.64 158.07 43.83 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.995 2.118 . . . . 0.0 109.171 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.9 1.26 18.1 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.5 p -76.12 145.46 39.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.363 1.065 . . . . 0.0 111.516 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.09 -38.05 81.79 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.105 -0.997 . . . . 0.0 111.597 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 m -58.34 -38.77 77.84 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.226 1.01 . . . . 0.0 112.715 177.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.06 -40.41 27.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.669 0.787 . . . . 0.0 112.148 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.13 -39.53 71.94 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.828 -0.545 . . . . 0.0 112.094 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -59.68 -43.91 93.84 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.973 -1.079 . . . . 0.0 110.737 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.95 81.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.52 0.728 . . . . 0.0 111.667 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.437 ' CE1' ' SG ' ' A' ' 73' ' ' CYS . 6.2 t-80 -64.35 -54.31 35.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.577 0.751 . . . . 0.0 111.287 175.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -65.99 -20.94 66.36 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -175.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.2 m -62.04 -19.87 63.34 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.699 0.681 . . . . 0.0 112.616 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.6 pt -124.64 3.42 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 125.618 1.567 . . . . 0.0 115.073 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.2 t -121.83 136.05 54.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.865 1.266 . . . . 0.0 114.326 -177.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.52 16.18 2.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.629 1.971 . . . . 0.0 113.616 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.7 mt -94.69 8.7 41.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.119 1.368 . . . . 0.0 111.665 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.2 p -55.74 -17.05 5.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.648 2.379 . . . . 0.0 116.048 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.24 32.79 0.29 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 126.151 1.834 . . . . 0.0 111.617 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.9 ttm105 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 127.018 2.127 . . . . 0.0 111.437 -174.622 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.1 tpt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.309 0.099 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.22 172.28 43.88 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.68 1.133 . . . . 0.0 112.863 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.2 p -61.42 -8.09 3.73 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tpt -126.34 18.23 7.61 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.2 1.8 . . . . 0.0 112.735 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.65 137.8 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.316 1.446 . . . . 0.0 112.476 -174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.0 t -67.91 145.1 54.91 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.18 1.392 . . . . 0.0 113.705 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -72.02 -15.66 62.04 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.784 1.234 . . . . 0.0 114.312 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.9 t -112.57 -63.81 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 125.01 1.324 . . . . 0.0 113.176 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 p -80.52 -8.7 59.67 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.256 0.3 OUTLIER 52.63 27.84 5.57 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.323 1.449 . . . . 0.0 114.541 -177.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -104.41 162.9 12.84 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.278 1.831 . . . . 0.0 110.332 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -78.42 166.67 22.36 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.543 1.137 . . . . 0.0 113.121 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.3 t -134.91 161.78 34.27 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.673 1.989 . . . . 0.0 108.961 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.05 -29.8 70.72 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.7 p -141.05 157.91 44.66 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.714 1.206 . . . . 0.0 111.642 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -14.09 61.83 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -88.14 -42.02 12.62 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.429 1.491 . . . . 0.0 111.438 179.04 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.56 -23.71 62.66 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.65 0.78 . . . . 0.0 111.098 176.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.9 tp -54.37 -34.82 61.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.855 1.662 . . . . 0.0 112.755 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.2 -32.09 71.14 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.359 1.064 . . . . 0.0 111.808 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.4 m -79.47 -34.95 40.98 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.409 0.684 . . . . 0.0 110.51 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -52.1 -59.64 4.13 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.034 1.734 . . . . 0.0 110.429 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -56.23 -36.91 69.03 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -70.03 -19.88 63.28 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.103 0.961 . . . . 0.0 113.215 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 m -93.88 -40.83 9.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.836 0.854 . . . . 0.0 109.495 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.8 m -56.1 -43.33 77.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.381 1.472 . . . . 0.0 113.16 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.8 tp -59.07 -19.59 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 123.79 0.836 . . . . 0.0 112.369 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -109.14 5.7 24.18 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 127.224 2.21 . . . . 0.0 112.558 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.75 19.99 79.52 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.378 1.466 . . . . 0.0 115.246 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -116.86 155.01 29.76 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.213 1.405 . . . . 0.0 113.822 -175.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 40.7 t -83.11 136.54 43.62 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 124.644 1.177 . . . . 0.0 110.201 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -64.88 -13.21 38.24 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.455 2.77 . . . . 0.0 116.532 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -134.54 -43.2 0.76 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.0 p -81.89 -6.19 58.89 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.127 1.785 . . . . 0.0 112.293 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.7 mmt 60.45 8.09 1.54 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.816 2.846 . . . . 0.0 116.117 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.7 m -57.62 142.53 44.5 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.413 1.085 . . . . 0.0 110.285 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 48.7 mt -120.22 139.93 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.618 1.167 . . . . 0.0 110.755 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 t -149.33 -169.23 3.32 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.965 2.506 . . . . 0.0 109.174 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.39 143.16 57.31 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.138 -1.601 . . . . 0.0 111.155 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.32 41.59 0.39 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.723 1.209 . . . . 0.0 113.164 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.9 p -119.36 149.22 42.19 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.311 1.844 . . . . 0.0 110.421 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.11 -36.03 74.45 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.28 -0.887 . . . . 0.0 112.798 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.6 m -61.82 -41.54 97.9 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.268 1.027 . . . . 0.0 112.729 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.83 -42.02 35.06 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.495 0.718 . . . . 0.0 111.902 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.84 -42.26 90.75 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.427 0.691 . . . . 0.0 111.625 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.76 -40.57 92.99 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.115 -0.991 . . . . 0.0 111.179 175.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.21 81.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.527 0.603 . . . . 0.0 111.528 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -71.23 -53.99 12.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.46 0.704 . . . . 0.0 111.615 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -64.57 -19.83 65.88 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.9 m -64.09 -20.11 65.72 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.379 -0.826 . . . . 0.0 112.136 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.8 pt -122.8 1.6 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.949 1.7 . . . . 0.0 113.99 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.7 t -121.93 127.34 50.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.808 1.643 . . . . 0.0 113.013 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -128.35 6.98 5.84 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.948 1.699 . . . . 0.0 112.975 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.45 -14.9 62.86 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.189 0.996 . . . . 0.0 111.33 172.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.6 p -46.76 -16.44 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 130.03 3.332 . . . . 0.0 116.058 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.85 34.81 0.41 Allowed Glycine 0 CA--C 1.534 1.24 0 C-N-CA 126.189 1.852 . . . . 0.0 112.207 174.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 . . . . . 0 C--O 1.251 1.133 0 C-N-CA 125.726 1.611 . . . . 0.0 112.153 -178.585 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.485 1.325 0 N-CA-C 110.867 -0.049 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.75 166.71 39.69 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.381 0.991 . . . . 0.0 113.147 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.1 p -66.01 -12.56 56.04 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 ttt -119.99 28.2 8.23 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.966 1.706 . . . . 0.0 112.284 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.2 t -126.37 138.2 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.585 1.554 . . . . 0.0 111.222 -176.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.2 t -61.18 152.62 28.2 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.518 1.527 . . . . 0.0 113.921 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -85.12 -9.46 57.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.995 1.318 . . . . 0.0 113.834 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.6 t -116.95 -61.09 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.134 1.374 . . . . 0.0 113.098 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.1 p -85.23 -7.39 59.05 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.296 1.5 t60 48.03 36.65 6.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.987 1.715 . . . . 0.0 114.975 -177.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -111.69 160.15 17.54 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.719 2.008 . . . . 0.0 110.031 177.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.5 169.68 17.61 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.963 0.905 . . . . 0.0 112.454 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.4 t -133.34 157.67 44.92 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.268 1.827 . . . . 0.0 108.626 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -59.72 -27.74 66.73 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.33 157.27 45.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.727 1.211 . . . . 0.0 111.215 176.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.78 -12.8 60.81 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -89.69 -45.08 9.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.202 1.401 . . . . 0.0 111.192 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.69 -14.53 63.08 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.663 0.785 . . . . 0.0 112.325 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.4 tp -56.14 -32.16 64.0 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.634 1.574 . . . . 0.0 112.368 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -69.54 -40.91 76.58 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.181 -0.949 . . . . 0.0 111.154 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -63.43 -35.47 80.52 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.646 -0.659 . . . . 0.0 110.448 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -58.4 -60.46 3.75 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.365 1.466 . . . . 0.0 110.216 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -58.91 -38.13 78.21 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.86 -24.1 67.44 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.965 0.906 . . . . 0.0 112.947 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 m -92.14 -42.67 9.78 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.365 1.066 . . . . 0.0 110.33 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.0 m -56.0 -46.14 78.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.514 1.526 . . . . 0.0 113.139 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.5 tt -58.36 -19.41 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 123.941 0.896 . . . . 0.0 112.869 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -110.82 6.44 21.37 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.878 2.071 . . . . 0.0 112.958 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.63 40.71 85.69 Favored Glycine 0 N--CA 1.468 0.816 0 C-N-CA 124.781 1.181 . . . . 0.0 114.632 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -136.99 153.02 50.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.043 1.337 . . . . 0.0 112.607 -176.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.0 t -84.89 138.24 37.52 Favored Pre-proline 0 CA--C 1.55 0.957 0 C-N-CA 124.236 1.014 . . . . 0.0 109.751 173.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -63.96 -15.3 48.34 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.142 2.561 . . . . 0.0 116.278 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -136.48 -42.99 0.61 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 117.155 2.279 . . . . 0.0 117.155 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 p -82.26 -5.92 58.87 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 121.33 1.877 . . . . 0.0 112.431 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.3 mmt 58.14 16.71 4.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.455 2.702 . . . . 0.0 115.625 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.9 m -61.12 145.01 52.48 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.504 -0.747 . . . . 0.0 109.022 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.7 mt -113.4 147.34 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.516 1.126 . . . . 0.0 111.245 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.9 p -136.35 -178.0 4.97 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.362 2.265 . . . . 0.0 111.936 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.94 2.39 6.98 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.182 1.393 . . . . 0.0 114.157 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 64.09 15.26 9.15 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.106 1.762 . . . . 0.0 114.248 -176.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.7 p -103.08 155.82 18.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.665 1.586 . . . . 0.0 110.326 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.77 -43.63 85.65 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.358 -0.839 . . . . 0.0 112.032 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.0 m -59.26 -38.03 79.09 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.05 0.94 . . . . 0.0 112.646 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.15 -35.93 35.91 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.488 0.715 . . . . 0.0 112.272 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.6 mt -74.79 -43.06 56.74 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.645 -0.659 . . . . 0.0 112.373 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -61.28 -38.02 85.26 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.234 0.925 . . . . 0.0 111.203 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.45 78.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.162 0.585 . . . . 0.0 111.655 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -72.59 -54.46 9.06 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.464 0.706 . . . . 0.0 111.729 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -63.49 -19.64 64.93 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.5 t -61.72 -24.53 66.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.729 0.812 . . . . 0.0 112.205 172.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.0 pt -118.8 -3.54 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 125.587 1.555 . . . . 0.0 114.564 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.8 t -111.62 135.78 51.74 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.398 1.479 . . . . 0.0 112.778 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt -132.95 0.79 3.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.948 1.699 . . . . 0.0 113.592 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.4 mt -69.1 -11.75 61.07 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.445 1.098 . . . . 0.0 112.96 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 73.5 p -49.36 -10.96 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 129.34 3.056 . . . . 0.0 117.489 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -157.63 34.22 0.54 Allowed Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.745 1.64 . . . . 0.0 112.255 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.701 1.6 . . . . 0.0 112.221 -178.781 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.57 -178.99 44.88 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.293 0.949 . . . . 0.0 113.209 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.8 p -58.01 -19.5 31.59 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 40.0 tpp -74.76 -9.05 58.18 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.478 1.511 . . . . 0.0 113.883 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.7 t -83.49 131.1 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.091 1.356 . . . . 0.0 112.41 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.4 t -64.83 146.86 54.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.957 1.703 . . . . 0.0 113.518 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.82 -17.92 63.42 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.323 1.449 . . . . 0.0 114.567 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.69 -63.95 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.061 1.344 . . . . 0.0 113.423 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 p -78.33 -3.44 43.03 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 44.91 36.35 1.87 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.407 1.883 . . . . 0.0 113.843 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -117.5 158.42 24.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.831 2.452 . . . . 0.0 109.619 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.88 166.5 23.54 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.308 -0.87 . . . . 0.0 113.137 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.7 t -130.06 167.3 18.52 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.35 1.86 . . . . 0.0 110.102 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -64.14 -37.36 87.16 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.159 -0.963 . . . . 0.0 112.691 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -143.31 158.83 43.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.901 1.28 . . . . 0.0 111.514 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.41 -11.36 60.76 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -94.71 -41.72 9.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.928 1.691 . . . . 0.0 110.725 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.54 -27.19 69.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.296 1.038 . . . . 0.0 110.72 173.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.5 tp -54.05 -34.95 61.4 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.911 1.685 . . . . 0.0 113.316 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.99 -35.52 78.47 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.515 -0.741 . . . . 0.0 111.695 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 m -72.58 -34.64 67.57 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.382 173.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -58.94 -60.34 4.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.899 1.68 . . . . 0.0 110.278 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -57.21 -37.92 72.95 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.94 -19.93 65.02 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -93.45 -42.95 8.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.654 0.781 . . . . 0.0 109.909 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.1 m -53.9 -45.56 71.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.925 1.29 . . . . 0.0 112.988 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.2 tp -57.7 -19.54 12.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.961 0.904 . . . . 0.0 112.741 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -111.41 7.12 20.73 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.223 2.209 . . . . 0.0 113.065 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.92 26.91 73.11 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.454 1.026 . . . . 0.0 114.536 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -116.91 152.21 35.0 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.547 1.939 . . . . 0.0 113.298 -175.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.64 133.63 33.95 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 124.485 1.114 . . . . 0.0 109.178 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -64.19 -11.08 26.01 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.765 2.977 . . . . 0.0 117.093 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -135.02 -45.69 0.72 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 116.208 1.929 . . . . 0.0 116.208 -177.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 9.9 p -83.4 -4.29 58.35 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 120.659 1.572 . . . . 0.0 112.566 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 87.0 mmm 57.72 17.05 3.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.363 2.665 . . . . 0.0 115.836 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 55.2 m -60.4 142.53 54.85 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.356 -0.84 . . . . 0.0 109.927 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.52 137.5 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.938 1.295 . . . . 0.0 110.604 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.4 t -155.03 -170.94 3.65 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.29 2.236 . . . . 0.0 109.455 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.82 148.85 50.65 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.224 -1.547 . . . . 0.0 110.994 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.4 2.05 10.32 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.6 p -71.82 149.97 44.76 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.411 1.085 . . . . 0.0 111.295 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -61.59 -33.83 74.56 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.086 -1.009 . . . . 0.0 111.812 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 m -62.73 -42.52 99.7 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.279 1.032 . . . . 0.0 112.663 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.34 58.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.358 0.663 . . . . 0.0 111.695 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.09 -43.98 85.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.622 0.769 . . . . 0.0 111.939 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -61.18 -38.95 88.33 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.449 1.022 . . . . 0.0 111.45 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.96 77.94 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 118.755 0.707 . . . . 0.0 111.464 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.9 -53.88 11.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.533 0.733 . . . . 0.0 111.314 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -63.81 -19.89 65.37 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -65.52 -20.55 66.39 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.443 -0.786 . . . . 0.0 112.378 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.3 pt -121.19 -7.81 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.718 1.607 . . . . 0.0 114.084 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.1 t -105.95 130.53 53.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.26 1.424 . . . . 0.0 112.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.78 11.51 4.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.336 1.854 . . . . 0.0 112.366 176.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.31 -7.3 53.58 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.849 1.26 . . . . 0.0 111.284 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.5 p -54.86 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.16 1 C-N-CA 132.195 4.198 . . . . 0.0 117.914 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.07 17.47 0.1 OUTLIER Glycine 0 CA--C 1.539 1.581 0 C-N-CA 126.875 2.178 . . . . 0.0 113.566 176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.501 1.52 . . . . 0.0 112.644 -178.059 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 110.553 -0.165 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.58 159.79 31.5 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 123.833 0.73 . . . . 0.0 113.751 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.8 p -73.78 -6.29 46.07 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 ttt -120.65 27.51 8.5 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.571 1.549 . . . . 0.0 112.772 -177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.2 t -120.51 132.18 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.74 1.616 . . . . 0.0 111.3 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.16 139.82 58.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.564 1.146 . . . . 0.0 112.433 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.81 -10.74 60.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.331 1.452 . . . . 0.0 114.73 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.55 -46.02 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.921 1.288 . . . . 0.0 113.412 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.1 p -104.2 0.37 29.4 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.3 m80 44.18 36.31 1.48 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.475 1.91 . . . . 0.0 114.724 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -117.11 162.12 18.34 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.855 2.062 . . . . 0.0 110.535 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -74.6 169.08 18.52 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.991 0.916 . . . . 0.0 112.888 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.4 t -130.55 159.95 35.61 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.96 2.104 . . . . 0.0 107.97 173.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -62.6 -31.05 71.81 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.893 -1.129 . . . . 0.0 113.052 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -140.68 158.69 43.61 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.91 1.284 . . . . 0.0 111.271 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.72 -12.44 61.32 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.89 -45.53 9.17 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.614 1.566 . . . . 0.0 111.125 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -68.2 -16.03 63.81 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.318 0.647 . . . . 0.0 112.174 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.55 -33.41 63.83 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.319 1.448 . . . . 0.0 112.034 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.34 -33.0 74.33 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.806 0.842 . . . . 0.0 111.73 176.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.1 m -77.68 -33.39 53.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.146 0.978 . . . . 0.0 110.474 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -57.51 -58.51 7.98 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.554 1.542 . . . . 0.0 109.693 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.5 ptp85 -55.54 -40.36 71.75 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -69.41 -24.37 63.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.959 0.904 . . . . 0.0 113.002 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.9 m -85.38 -46.47 10.92 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.321 0.649 . . . . 0.0 109.513 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m -56.14 -47.02 78.99 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.528 1.531 . . . . 0.0 113.361 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.6 tp -58.26 -19.43 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 123.317 0.647 . . . . 0.0 112.424 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -109.89 6.84 23.63 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.189 2.196 . . . . 0.0 113.194 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.22 30.02 65.66 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.602 1.096 . . . . 0.0 115.277 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -127.14 159.69 33.46 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.003 1.721 . . . . 0.0 112.567 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.1 t -93.57 139.42 22.83 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.374 1.47 . . . . 0.0 110.5 173.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -64.96 -12.74 35.99 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.257 2.638 . . . . 0.0 115.937 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -131.11 -51.95 1.03 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.5 p -79.82 -12.21 59.78 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.569 1.531 . . . . 0.0 112.251 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.6 mtt 56.26 18.56 3.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.098 2.559 . . . . 0.0 115.472 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 51.9 m -59.78 134.82 57.38 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.561 -0.712 . . . . 0.0 109.448 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.0 mm -98.63 139.37 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.245 1.018 . . . . 0.0 110.981 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.5 t -153.69 -177.83 6.63 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 127.298 2.239 . . . . 0.0 109.189 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -67.27 146.31 54.28 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.069 -1.645 . . . . 0.0 110.393 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.56 3.75 3.67 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.9 p -75.93 149.36 37.72 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.66 1.184 . . . . 0.0 111.537 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.11 -43.87 87.38 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.286 -0.884 . . . . 0.0 112.412 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.6 m -60.14 -39.13 85.25 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.914 0.886 . . . . 0.0 112.703 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.52 -37.01 57.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.27 0.628 . . . . 0.0 111.849 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 44.6 mt -70.51 -40.89 73.26 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.692 -0.63 . . . . 0.0 111.408 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.68 -37.79 85.41 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.301 -0.874 . . . . 0.0 111.148 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.19 -35.33 76.87 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.7 0.682 . . . . 0.0 111.66 175.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -72.56 -54.59 8.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.533 0.733 . . . . 0.0 111.325 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -63.71 -19.93 65.33 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.8 m -63.26 -20.11 65.16 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.446 -0.784 . . . . 0.0 112.458 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 pt -121.34 -6.33 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.637 1.575 . . . . 0.0 114.069 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 23.5 t -109.48 128.54 55.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.143 1.377 . . . . 0.0 113.423 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -131.98 11.9 4.71 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.107 1.763 . . . . 0.0 112.526 174.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.77 -11.44 60.95 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.742 1.217 . . . . 0.0 111.551 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 53.4 p -52.7 17.09 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 1 C-N-CA 132.779 4.432 . . . . 0.0 118.274 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -175.19 26.71 0.07 OUTLIER Glycine 0 CA--C 1.534 1.269 0 C-N-CA 127.229 2.347 . . . . 0.0 112.557 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.185 1.394 . . . . 0.0 112.76 -175.07 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.41 -37.84 0.55 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.661 1.124 . . . . 0.0 113.934 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -150.24 -31.43 0.2 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.837 1.255 . . . . 0.0 114.141 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.2 ttp -78.55 44.0 0.5 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.645 1.978 . . . . 0.0 112.233 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -114.88 136.15 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.93 2.092 . . . . 0.0 111.281 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.3 142.93 54.0 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.273 1.429 . . . . 0.0 113.71 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -72.17 -11.89 60.94 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.801 1.24 . . . . 0.0 114.127 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.4 t -114.97 -63.23 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 125.194 1.398 . . . . 0.0 113.122 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.0 p -81.57 -3.56 53.61 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 46.0 35.51 2.49 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.152 1.781 . . . . 0.0 113.918 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -111.66 150.13 30.58 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.771 2.028 . . . . 0.0 109.757 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -75.22 139.2 42.44 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.325 -0.859 . . . . 0.0 111.302 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 18.3 t -92.38 173.64 7.7 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.177 0.991 . . . . 0.0 111.056 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.76 -36.39 78.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.654 -1.279 . . . . 0.0 112.061 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -145.54 165.88 27.35 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.444 1.498 . . . . 0.0 112.009 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.41 -15.94 61.34 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -89.49 -43.99 10.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.234 1.414 . . . . 0.0 110.726 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.57 -23.55 66.87 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.393 1.077 . . . . 0.0 111.424 176.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.7 tp -53.09 -35.0 59.11 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.396 1.879 . . . . 0.0 112.889 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.09 -46.55 77.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.153 0.981 . . . . 0.0 110.969 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -64.77 -36.84 85.61 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.474 -0.766 . . . . 0.0 110.894 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -58.54 -60.4 3.87 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.438 1.495 . . . . 0.0 110.359 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -58.57 -39.2 79.64 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -69.43 -19.73 63.78 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.5 m -91.7 -43.09 9.79 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.491 -0.756 . . . . 0.0 110.044 174.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 67.3 m -54.83 -45.7 74.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.162 1.385 . . . . 0.0 113.134 176.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.6 tp -57.63 -19.49 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 123.891 0.877 . . . . 0.0 112.579 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -111.6 7.43 20.53 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.254 2.222 . . . . 0.0 113.145 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.82 27.71 71.9 Favored Glycine 0 CA--C 1.539 1.546 0 O-C-N 120.985 -1.072 . . . . 0.0 114.829 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -118.1 152.55 35.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.332 1.853 . . . . 0.0 113.106 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.6 t -89.74 133.22 34.6 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 124.427 1.091 . . . . 0.0 109.26 170.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -64.62 -18.79 63.88 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.352 2.701 . . . . 0.0 116.894 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -134.5 -12.68 2.35 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 117.662 2.468 . . . . 0.0 117.662 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.85 -2.68 14.3 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 120.565 1.53 . . . . 0.0 111.934 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 55.83 18.19 2.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.995 2.518 . . . . 0.0 115.677 176.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.5 m -61.32 138.98 58.25 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.34 -0.85 . . . . 0.0 109.271 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.61 134.86 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.686 1.195 . . . . 0.0 110.408 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.3 t -154.53 -169.04 3.1 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.369 2.268 . . . . 0.0 109.382 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -69.76 152.64 44.38 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.012 -1.68 . . . . 0.0 111.746 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.7 1.45 17.08 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.098 0.959 . . . . 0.0 113.505 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.9 p -72.4 147.92 45.73 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.61 1.164 . . . . 0.0 111.335 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -62.19 -29.95 70.73 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.179 -0.95 . . . . 0.0 112.267 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.1 m -66.26 -42.36 88.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.075 0.95 . . . . 0.0 112.123 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.79 -42.32 58.34 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.512 0.725 . . . . 0.0 111.626 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.02 -46.12 79.03 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.625 0.77 . . . . 0.0 112.185 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -61.67 -37.75 85.22 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.577 1.081 . . . . 0.0 111.733 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.42 -36.66 80.95 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.644 0.656 . . . . 0.0 111.319 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -70.23 -53.04 18.71 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.391 0.677 . . . . 0.0 111.166 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -64.07 -20.07 65.68 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -64.94 -20.23 66.36 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.485 -0.759 . . . . 0.0 112.307 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.7 pt -122.52 -3.98 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.824 1.65 . . . . 0.0 114.082 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.2 t -112.39 130.67 55.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.556 1.542 . . . . 0.0 112.795 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -131.24 8.0 4.65 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.15 1.78 . . . . 0.0 112.756 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.89 -15.18 63.5 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.677 0.791 . . . . 0.0 110.885 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.2 p -49.2 -2.51 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 131.009 3.724 . . . . 0.0 117.756 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -151.17 21.77 0.97 Allowed Glycine 0 CA--C 1.538 1.503 0 C-N-CA 126.03 1.776 . . . . 0.0 113.622 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 125.128 1.371 . . . . 0.0 114.536 -179.49 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.487 1.401 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.82 172.38 42.57 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.656 1.122 . . . . 0.0 112.793 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.2 p -57.91 -24.37 57.45 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 ttt -72.89 -6.75 47.19 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.985 1.314 . . . . 0.0 114.279 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.6 t -86.53 128.54 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.747 1.219 . . . . 0.0 110.498 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.1 t -57.85 139.74 53.45 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.141 1.377 . . . . 0.0 112.818 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -66.39 -11.51 51.91 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.6 t -118.52 -69.44 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 125.098 1.359 . . . . 0.0 112.532 -177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.7 p -72.58 -3.19 23.21 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.4 m80 45.25 38.97 3.79 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.435 1.894 . . . . 0.0 113.848 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -117.75 150.14 39.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.43 2.292 . . . . 0.0 109.534 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -76.59 133.15 39.75 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.354 -0.841 . . . . 0.0 110.229 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.3 p -74.49 173.95 9.64 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.84 0.856 . . . . 0.0 112.207 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -71.02 -41.85 70.32 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.887 -1.133 . . . . 0.0 110.404 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -144.3 152.22 40.48 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.774 1.63 . . . . 0.0 110.966 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.15 -12.4 19.57 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -82.33 -44.06 16.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.739 1.616 . . . . 0.0 111.072 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -73.46 -16.8 61.3 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.4 tp -48.1 -41.21 25.73 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.534 1.934 . . . . 0.0 114.514 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -70.36 -41.0 73.7 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.346 -0.846 . . . . 0.0 111.778 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 t -62.57 -37.59 86.8 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.71 -0.619 . . . . 0.0 110.454 174.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -57.72 -60.77 3.18 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.494 1.518 . . . . 0.0 110.301 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -59.82 -38.88 83.26 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -65.89 -19.84 66.02 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 m -95.04 -43.32 8.19 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.08 0.952 . . . . 0.0 109.926 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.8 m -55.27 -44.08 75.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.567 1.547 . . . . 0.0 112.941 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.7 tp -58.6 -19.51 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 124.046 0.938 . . . . 0.0 112.666 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -110.72 7.85 22.33 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.05 2.14 . . . . 0.0 112.528 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.57 22.13 77.83 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.197 1.38 . . . . 0.0 115.213 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -118.46 154.4 32.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.804 1.241 . . . . 0.0 113.847 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.1 t -80.57 137.94 51.29 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.871 1.268 . . . . 0.0 110.518 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.53 -14.39 44.59 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.218 2.612 . . . . 0.0 116.273 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -134.25 -46.35 0.77 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 p -81.08 -5.13 57.28 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.099 1.772 . . . . 0.0 112.116 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.1 mmt 60.22 11.4 2.78 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.698 2.799 . . . . 0.0 115.482 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.3 m -54.45 139.44 37.41 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.933 1.293 . . . . 0.0 110.422 175.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.8 mt -118.19 138.65 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.431 1.092 . . . . 0.0 110.701 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 t -151.42 -170.61 3.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.993 2.517 . . . . 0.0 108.805 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.41 149.1 50.71 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 119.98 -1.7 . . . . 0.0 110.947 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.95 4.41 5.42 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.2 p -72.99 150.32 42.55 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.694 1.198 . . . . 0.0 111.22 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.05 -35.83 77.98 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.176 -0.952 . . . . 0.0 112.272 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -62.76 -42.18 99.56 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.365 1.066 . . . . 0.0 112.89 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.53 -42.41 67.95 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.307 0.643 . . . . 0.0 111.25 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.59 -37.25 79.67 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.419 0.688 . . . . 0.0 111.926 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -62.84 -41.01 99.18 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 120.652 -1.28 . . . . 0.0 110.364 174.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.01 89.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.41 0.55 . . . . 0.0 110.995 175.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -63.86 -57.37 10.06 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.894 0.878 . . . . 0.0 111.231 174.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -65.8 -19.77 66.01 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -64.86 -19.81 66.08 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.537 -0.727 . . . . 0.0 112.367 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.9 pt -123.1 -1.55 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.679 1.592 . . . . 0.0 114.208 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.7 t -118.06 131.36 56.46 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.687 1.595 . . . . 0.0 112.859 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -130.91 1.26 4.31 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.852 1.661 . . . . 0.0 113.72 177.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.7 mt -65.31 -14.76 61.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.972 0.909 . . . . 0.0 111.88 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.3 p -49.41 -14.52 0.1 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.495 3.118 . . . . 0.0 116.212 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.47 31.54 0.34 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.159 1.837 . . . . 0.0 112.246 176.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.635 1.574 . . . . 0.0 112.431 -176.773 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.9 ttp . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.03 163.45 29.64 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.001 0.81 . . . . 0.0 113.509 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.1 p -69.98 -11.17 60.68 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.7 ttt -119.36 23.33 11.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.189 1.795 . . . . 0.0 112.152 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.6 t -120.15 132.95 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.735 1.614 . . . . 0.0 111.486 -175.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.1 t -63.54 142.37 58.42 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.495 1.118 . . . . 0.0 113.213 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -73.12 -12.13 60.79 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.0 t -117.66 -48.82 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.719 1.208 . . . . 0.0 113.951 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.0 p -104.04 0.72 30.17 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 47.82 27.88 1.22 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.568 1.947 . . . . 0.0 114.47 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -83.36 143.33 30.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.69 1.196 . . . . 0.0 111.081 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -86.46 85.86 7.32 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.488 1.515 . . . . 0.0 109.851 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.4 t -51.75 152.43 2.9 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.372 1.069 . . . . 0.0 113.241 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -53.41 -31.38 44.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.862 1.265 . . . . 0.0 114.014 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.32 157.25 45.46 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.011 1.324 . . . . 0.0 110.574 175.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.29 -11.78 61.1 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -99.29 -40.78 7.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.024 1.33 . . . . 0.0 112.03 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.32 -23.05 67.24 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.899 0.772 . . . . 0.0 110.988 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.0 tp -53.79 -33.28 55.51 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.436 1.895 . . . . 0.0 112.308 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -67.86 -32.24 72.63 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.272 1.029 . . . . 0.0 111.815 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 m -80.31 -36.56 34.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.128 0.971 . . . . 0.0 110.46 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -55.02 -60.26 3.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.234 1.813 . . . . 0.0 110.583 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -54.45 -39.44 67.44 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -70.55 -19.92 62.84 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.169 0.987 . . . . 0.0 113.08 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -92.27 -42.46 9.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.215 1.006 . . . . 0.0 109.996 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.0 m -56.76 -42.96 80.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.585 1.554 . . . . 0.0 113.669 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.5 tt -60.2 -19.37 17.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.417 0.687 . . . . 0.0 112.409 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -107.45 6.89 28.62 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.065 2.146 . . . . 0.0 112.234 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.37 21.6 76.02 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.655 1.598 . . . . 0.0 115.17 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -119.92 158.51 26.54 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.235 1.414 . . . . 0.0 113.809 -174.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.5 t -85.89 139.02 34.95 Favored Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 125.067 1.347 . . . . 0.0 111.179 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -64.85 -14.34 44.44 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.442 2.761 . . . . 0.0 116.136 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -134.13 -47.53 0.78 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -78.05 -13.24 59.94 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.892 1.678 . . . . 0.0 111.903 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.2 mtt 58.12 15.55 3.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.234 2.614 . . . . 0.0 116.163 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 49.0 m -59.9 145.36 46.12 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.808 0.843 . . . . 0.0 109.116 172.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.1 mt -119.36 141.7 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.192 0.997 . . . . 0.0 111.44 -177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.5 t -150.52 -170.72 3.73 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 128.297 2.639 . . . . 0.0 109.011 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.04 146.58 54.18 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 119.957 -1.714 . . . . 0.0 111.275 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.19 43.53 0.37 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.853 1.261 . . . . 0.0 113.194 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.4 p -128.15 154.44 45.76 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.006 1.722 . . . . 0.0 112.142 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -57.28 -44.94 84.45 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.1 m -58.01 -38.42 76.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.918 0.887 . . . . 0.0 112.394 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.81 -41.75 22.81 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.276 1.031 . . . . 0.0 113.118 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 67.4 mt -76.61 -43.05 40.13 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -61.55 -34.81 76.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.336 0.971 . . . . 0.0 111.293 177.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.03 85.16 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.388 0.675 . . . . 0.0 111.698 175.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -70.38 -52.73 20.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.508 0.723 . . . . 0.0 110.809 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -64.03 -19.64 65.35 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.0 m -64.42 -20.06 65.92 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.355 -0.841 . . . . 0.0 112.326 173.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.9 pt -122.09 -5.09 8.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 125.739 1.616 . . . . 0.0 114.141 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 14.2 t -111.76 128.76 56.19 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.205 1.402 . . . . 0.0 112.819 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -129.96 7.66 5.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.982 1.713 . . . . 0.0 112.794 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.04 -20.6 64.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.44 0.696 . . . . 0.0 110.241 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.6 p -50.01 -18.29 0.52 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 129.367 3.067 . . . . 0.0 115.157 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.92 23.19 1.78 Allowed Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.767 1.651 . . . . 0.0 113.782 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.377 1.871 . . . . 0.0 112.694 179.037 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 110.726 -0.101 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.81 -28.26 0.31 Allowed Glycine 0 CA--C 1.537 1.468 0 N-CA-C 116.025 1.17 . . . . 0.0 116.025 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.2 p -132.97 -5.48 3.11 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.9 ttt -124.84 33.98 5.09 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.786 1.634 . . . . 0.0 112.439 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.8 t -124.12 128.79 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.006 1.722 . . . . 0.0 110.915 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -61.58 147.45 45.56 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.917 1.287 . . . . 0.0 113.222 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.54 -13.21 61.72 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.018 1.327 . . . . 0.0 114.244 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.78 -70.27 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.344 1.458 . . . . 0.0 112.651 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 p -75.25 -1.95 25.8 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.5 m80 42.98 38.79 1.53 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.59 1.956 . . . . 0.0 113.816 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -119.23 166.09 13.42 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.711 2.404 . . . . 0.0 110.131 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.42 171.35 15.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.444 1.098 . . . . 0.0 112.54 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.5 t -133.3 167.49 20.3 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.113 2.165 . . . . 0.0 108.529 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -57.2 -34.41 68.49 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.869 -1.144 . . . . 0.0 112.257 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -141.3 159.42 42.25 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.314 1.445 . . . . 0.0 111.12 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.85 -11.58 60.87 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 121.488 -0.757 . . . . 0.0 112.936 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -88.01 -46.18 9.56 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.066 1.346 . . . . 0.0 111.003 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -67.29 -16.77 64.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.324 0.65 . . . . 0.0 112.071 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.23 -31.28 63.38 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.748 1.619 . . . . 0.0 112.47 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -66.32 -35.02 79.31 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.308 -0.87 . . . . 0.0 111.594 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 m -76.84 -30.39 56.31 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.145 0.978 . . . . 0.0 110.918 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -59.92 -59.88 4.72 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.802 1.641 . . . . 0.0 110.749 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 45.6 ptt85 -54.09 -42.53 69.48 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -70.54 -19.59 62.88 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 m -86.51 -44.23 12.12 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.791 0.836 . . . . 0.0 108.988 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 77.8 m -55.34 -46.28 76.4 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.926 1.69 . . . . 0.0 113.568 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.8 tp -59.13 -19.56 16.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.123 0.569 . . . . 0.0 112.482 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -107.38 6.41 28.3 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.03 2.132 . . . . 0.0 112.75 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.85 17.24 78.27 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.522 1.534 . . . . 0.0 115.725 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -116.05 153.39 31.77 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.851 1.326 . . . . 0.0 113.201 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.9 t -83.24 139.04 41.92 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.045 0.938 . . . . 0.0 110.384 174.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -62.82 -16.66 55.02 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.389 2.726 . . . . 0.0 116.252 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -135.58 -37.33 0.76 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -176.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.6 p -85.26 -6.13 59.28 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 121.821 2.1 . . . . 0.0 112.229 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.5 mmt 60.55 4.23 0.7 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 129.048 2.939 . . . . 0.0 116.708 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.7 m -57.66 144.59 37.16 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.298 1.039 . . . . 0.0 110.231 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.2 mt -120.12 136.67 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.634 1.174 . . . . 0.0 110.722 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 55.5 p -143.1 -173.54 3.94 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 128.621 2.768 . . . . 0.0 108.781 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.25 147.6 53.09 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 119.919 -1.738 . . . . 0.0 110.438 176.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.41 4.55 3.67 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.042 1.126 . . . . 0.0 114.042 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.5 p -75.41 150.32 38.36 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.918 1.287 . . . . 0.0 111.952 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.07 -41.87 89.01 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.379 -0.825 . . . . 0.0 112.08 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -59.19 -38.14 79.11 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.229 1.012 . . . . 0.0 112.838 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.48 -39.81 31.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.252 0.621 . . . . 0.0 111.685 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 75.0 mt -69.9 -42.96 72.67 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -61.46 -37.91 85.29 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.166 -0.959 . . . . 0.0 111.469 176.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.46 -36.77 81.35 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.551 0.614 . . . . 0.0 111.461 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -70.86 -54.8 10.17 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.669 0.787 . . . . 0.0 111.33 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -64.24 -19.65 65.52 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.4 m -64.26 -25.48 68.07 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.268 -0.895 . . . . 0.0 111.852 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.7 pt -114.71 -13.31 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.405 1.482 . . . . 0.0 113.652 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 16.3 t -102.66 126.17 49.65 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.97 1.308 . . . . 0.0 112.038 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -131.14 11.36 5.03 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.316 1.846 . . . . 0.0 111.744 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.9 mt -76.25 -4.65 43.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.552 1.541 . . . . 0.0 112.069 175.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.8 p -54.03 10.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 131.17 3.788 . . . . 0.0 117.841 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.92 17.75 0.19 Allowed Glycine 0 CA--C 1.541 1.691 0 C-N-CA 126.511 2.005 . . . . 0.0 113.67 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.839 1.656 . . . . 0.0 115.382 -178.268 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 111.242 0.09 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.88 176.92 44.88 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.524 1.059 . . . . 0.0 113.291 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.5 p -58.16 -14.84 7.75 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 30.9 ttm -124.0 18.19 9.27 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.757 1.623 . . . . 0.0 112.883 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.9 t -107.57 131.34 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.241 1.416 . . . . 0.0 110.866 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.6 t -62.78 144.36 56.58 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.868 1.267 . . . . 0.0 114.005 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.11 -19.72 65.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.474 1.91 . . . . 0.0 114.02 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.8 t -115.13 -72.55 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 125.317 1.447 . . . . 0.0 112.373 -175.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -68.23 -6.88 26.04 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.1 m80 47.66 32.8 2.69 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.367 1.867 . . . . 0.0 113.812 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -108.26 151.69 25.61 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.759 2.023 . . . . 0.0 109.771 177.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -75.64 138.3 41.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.469 0.708 . . . . 0.0 111.617 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.6 t -92.21 169.19 10.8 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.671 1.188 . . . . 0.0 111.378 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.35 -41.79 97.62 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.866 -1.147 . . . . 0.0 111.26 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -144.5 168.21 20.68 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.01 1.724 . . . . 0.0 111.833 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.17 -13.35 61.15 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 121.448 -0.782 . . . . 0.0 112.954 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -89.7 -44.87 9.72 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.144 1.377 . . . . 0.0 111.003 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -64.32 -23.06 67.16 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.11 0.964 . . . . 0.0 111.572 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.6 tp -53.51 -34.81 59.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.186 1.794 . . . . 0.0 112.832 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -66.37 -31.62 72.51 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.744 0.818 . . . . 0.0 112.029 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -80.12 -38.17 32.09 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.913 0.885 . . . . 0.0 110.448 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -56.44 -58.28 8.68 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.559 1.543 . . . . 0.0 110.871 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.75 -40.24 69.13 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -72.73 -24.95 61.04 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.141 0.976 . . . . 0.0 113.178 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.5 m -85.16 -43.59 13.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.59 0.756 . . . . 0.0 110.497 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 66.3 m -58.0 -44.23 87.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.401 1.481 . . . . 0.0 114.03 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -21.48 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 121.478 -0.764 . . . . 0.0 112.504 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -103.67 6.57 37.11 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.828 2.051 . . . . 0.0 113.055 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.72 21.46 77.92 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.256 1.408 . . . . 0.0 115.612 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -118.58 154.31 32.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.825 1.313 . . . . 0.0 113.943 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 39.0 t -80.0 136.71 53.93 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.95 1.3 . . . . 0.0 110.543 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.21 -13.08 38.3 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.111 2.541 . . . . 0.0 116.343 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -135.21 -45.09 0.7 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.5 p -81.37 -5.98 58.43 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 121.186 1.812 . . . . 0.0 112.011 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.5 mmt 61.12 10.57 2.98 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.79 2.836 . . . . 0.0 115.605 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.8 m -55.91 141.55 38.88 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.809 1.244 . . . . 0.0 110.507 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.0 mt -120.29 140.24 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.575 1.15 . . . . 0.0 110.878 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.0 t -150.82 -169.71 3.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.857 2.463 . . . . 0.0 108.91 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.13 149.49 50.46 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.057 -1.652 . . . . 0.0 110.976 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.95 3.24 7.06 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.3 p -71.26 150.73 44.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.14 0.976 . . . . 0.0 110.901 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.36 -34.34 76.49 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.151 -0.968 . . . . 0.0 112.173 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.4 m -64.9 -42.78 94.48 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.096 0.958 . . . . 0.0 112.786 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.96 72.74 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.099 0.56 . . . . 0.0 111.294 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.6 mt -67.48 -38.45 84.41 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.331 0.652 . . . . 0.0 111.447 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -63.01 -39.36 94.54 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.704 -1.248 . . . . 0.0 110.595 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.59 93.06 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.776 0.717 . . . . 0.0 110.866 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -62.09 -56.69 16.37 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.852 0.861 . . . . 0.0 110.989 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -66.07 -19.74 65.94 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.893 -1.129 . . . . 0.0 113.968 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.3 m -65.77 -19.98 66.09 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.375 -0.828 . . . . 0.0 112.208 172.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 31.4 pt -121.51 -0.91 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.871 1.668 . . . . 0.0 114.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.1 t -119.81 129.38 54.41 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.865 1.666 . . . . 0.0 112.724 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.52 9.09 4.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.064 1.746 . . . . 0.0 112.794 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.11 -5.97 53.24 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.278 1.431 . . . . 0.0 112.349 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.0 p -53.55 1.6 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 130.49 3.516 . . . . 0.0 117.598 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.21 29.82 0.23 Allowed Glycine 0 CA--C 1.537 1.411 0 C-N-CA 126.928 2.204 . . . . 0.0 112.091 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 126.325 1.85 . . . . 0.0 114.8 -178.684 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 110.669 -0.122 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.87 -15.34 63.24 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.836 1.208 . . . . 0.0 115.603 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 p -81.32 -30.54 33.85 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.522 1.529 . . . . 0.0 114.304 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.47 2.92 3.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.06 1.744 . . . . 0.0 112.071 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.29 139.08 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.688 1.995 . . . . 0.0 109.47 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.3 t -60.14 144.65 49.32 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.551 1.14 . . . . 0.0 113.533 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -75.38 -13.47 60.4 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.723 1.209 . . . . 0.0 113.928 177.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 65.9 t -114.24 -61.21 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.221 1.408 . . . . 0.0 113.237 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.9 p -86.03 -0.95 56.82 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 44.71 38.31 2.72 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.49 1.916 . . . . 0.0 113.544 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -114.21 158.74 20.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.861 2.064 . . . . 0.0 110.987 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -75.49 160.07 30.6 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.83 1.252 . . . . 0.0 112.155 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.9 t -132.97 164.59 26.63 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.502 1.921 . . . . 0.0 109.481 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.24 -36.17 79.24 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.756 -1.215 . . . . 0.0 113.501 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -141.46 161.46 37.85 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.384 1.074 . . . . 0.0 112.163 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.23 -16.63 63.07 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.633 0.773 . . . . 0.0 113.031 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -85.84 -46.41 10.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.728 1.211 . . . . 0.0 111.081 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -66.12 -19.0 65.71 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.242 0.617 . . . . 0.0 112.287 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 tp -56.98 -29.71 63.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.069 1.748 . . . . 0.0 112.928 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -71.18 -44.25 65.83 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.714 0.805 . . . . 0.0 110.32 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.7 m -63.47 -35.65 81.16 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.573 -0.704 . . . . 0.0 110.741 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -59.13 -60.68 3.47 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.362 1.465 . . . . 0.0 110.268 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -59.51 -37.69 78.97 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -65.42 -19.61 66.01 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.76 0.824 . . . . 0.0 113.068 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 m -96.23 -42.43 8.19 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.349 1.06 . . . . 0.0 110.088 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.7 m -55.95 -41.48 74.73 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.704 1.602 . . . . 0.0 113.38 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.8 tp -58.43 -19.51 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.839 0.856 . . . . 0.0 112.5 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -111.13 8.4 21.71 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.044 2.138 . . . . 0.0 112.507 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.19 25.74 75.19 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.22 1.391 . . . . 0.0 114.81 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -121.62 152.71 39.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.209 1.404 . . . . 0.0 113.601 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.8 t -84.13 137.61 40.01 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 124.169 0.988 . . . . 0.0 110.333 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -61.66 -18.22 58.97 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.471 2.781 . . . . 0.0 116.527 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -136.19 -38.35 0.69 Allowed 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 118.016 2.598 . . . . 0.0 118.016 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.2 p -81.88 -6.25 58.94 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 121.497 1.953 . . . . 0.0 112.262 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.4 mmt 57.68 18.35 4.69 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.386 2.674 . . . . 0.0 115.561 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.8 m -63.88 143.68 57.67 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 173.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.6 mt -124.89 138.47 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.658 1.183 . . . . 0.0 110.41 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.9 t -152.49 -167.51 2.77 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.95 2.5 . . . . 0.0 109.119 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.13 150.3 48.53 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.057 -1.652 . . . . 0.0 111.246 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.81 3.09 8.66 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.4 p -72.42 151.37 42.64 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.622 1.169 . . . . 0.0 111.627 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -62.25 -36.21 81.34 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.145 -0.972 . . . . 0.0 112.0 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.9 m -62.87 -41.22 99.3 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.213 1.005 . . . . 0.0 112.844 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.1 -42.53 59.95 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.272 0.629 . . . . 0.0 111.687 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.37 -43.01 78.31 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.533 0.733 . . . . 0.0 112.611 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.43 -39.03 86.0 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.533 1.06 . . . . 0.0 111.382 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.41 -36.13 79.48 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.44 0.564 . . . . 0.0 111.695 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -71.82 -53.64 12.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.538 0.735 . . . . 0.0 111.49 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -63.56 -19.8 65.11 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m -64.18 -19.94 65.67 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.623 -0.673 . . . . 0.0 112.497 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 pt -123.07 -1.22 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.644 1.577 . . . . 0.0 114.53 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 14.5 t -113.03 135.44 53.78 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.52 1.528 . . . . 0.0 112.46 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 6.11 4.0 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.918 1.687 . . . . 0.0 113.543 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.28 -9.47 58.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.758 0.823 . . . . 0.0 112.002 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 41.7 p -49.6 -18.15 0.4 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 128.864 2.866 . . . . 0.0 116.767 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.15 26.61 2.31 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.404 1.478 . . . . 0.0 113.308 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.998 1.719 . . . . 0.0 115.183 -179.082 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.1 tpp . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.21 -36.1 0.52 Allowed Glycine 0 N--CA 1.477 1.369 0 N-CA-C 115.401 0.92 . . . . 0.0 115.401 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.5 p -56.33 -27.76 56.78 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 ttt -127.34 31.03 5.28 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.284 1.834 . . . . 0.0 111.371 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.4 t -121.09 140.06 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.909 1.284 . . . . 0.0 112.591 -174.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.74 161.18 28.91 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.29 1.836 . . . . 0.0 113.362 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -85.06 -14.67 46.52 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.3 t -122.83 -62.08 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.268 1.027 . . . . 0.0 113.381 -174.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p -85.78 -0.46 55.31 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 44.7 30.09 0.49 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.346 2.258 . . . . 0.0 114.162 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -77.61 159.89 28.91 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.985 1.714 . . . . 0.0 111.323 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -108.89 90.39 3.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.712 1.605 . . . . 0.0 108.541 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.0 t -55.72 158.7 3.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.498 1.119 . . . . 0.0 112.817 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -54.41 -31.78 55.85 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.708 1.203 . . . . 0.0 113.747 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -141.36 158.08 44.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.401 1.48 . . . . 0.0 110.601 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.95 -10.77 60.16 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -90.79 -46.85 7.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.114 1.766 . . . . 0.0 110.931 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -27.37 69.0 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.731 1.213 . . . . 0.0 110.972 176.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.62 -33.45 64.01 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.018 1.727 . . . . 0.0 112.719 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.53 -33.29 75.34 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.503 -0.748 . . . . 0.0 111.514 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.4 m -78.63 -36.56 43.85 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.515 0.726 . . . . 0.0 110.169 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -54.58 -60.05 3.88 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.769 1.628 . . . . 0.0 110.663 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -58.0 -29.89 65.63 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -80.07 -23.12 41.56 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.068 0.947 . . . . 0.0 112.862 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 m -87.74 -39.2 15.14 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.11 0.964 . . . . 0.0 111.132 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.5 m -56.29 -44.95 80.32 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.34 1.456 . . . . 0.0 113.94 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -22.52 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.792 0.837 . . . . 0.0 112.021 177.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -101.38 6.4 42.6 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.488 1.915 . . . . 0.0 112.659 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.04 26.46 72.37 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 125.426 1.489 . . . . 0.0 114.587 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -122.51 154.7 37.51 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.287 1.435 . . . . 0.0 113.492 -174.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.0 t -83.38 137.5 42.18 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.632 1.173 . . . . 0.0 110.398 173.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.93 -14.7 44.68 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.197 2.598 . . . . 0.0 116.173 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -133.4 -45.34 0.83 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -177.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 p -82.33 -9.52 59.44 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 121.247 1.839 . . . . 0.0 111.941 176.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 56.0 mtt 57.54 23.46 9.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.717 2.407 . . . . 0.0 114.986 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.3 m -60.67 143.29 54.48 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.3 mt -121.89 138.23 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.283 1.033 . . . . 0.0 110.536 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.5 t -153.17 -170.46 3.62 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.449 2.3 . . . . 0.0 109.562 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.5 142.46 58.13 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.206 -1.559 . . . . 0.0 111.103 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.59 46.17 0.53 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.703 1.201 . . . . 0.0 112.775 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 39.6 p -125.1 152.09 44.85 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.01 1.724 . . . . 0.0 111.736 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -57.22 -42.54 81.55 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.55 0.74 . . . . 0.0 112.583 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 m -58.5 -40.1 81.88 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.819 0.848 . . . . 0.0 112.751 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.31 -38.7 30.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.963 0.905 . . . . 0.0 112.938 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.1 mt -76.65 -39.46 52.2 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.512 -0.742 . . . . 0.0 112.489 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -62.28 -36.94 83.65 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.888 1.222 . . . . 0.0 110.366 174.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.88 99.26 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.336 0.517 . . . . 0.0 110.894 174.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -60.42 -56.52 20.48 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.792 0.837 . . . . 0.0 110.894 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -66.46 -19.77 65.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -64.95 -20.34 66.42 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.357 -0.84 . . . . 0.0 112.286 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.4 pt -121.89 -1.64 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.823 1.649 . . . . 0.0 113.93 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.7 t -119.35 122.04 40.92 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.643 1.577 . . . . 0.0 113.097 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -126.33 5.52 7.0 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.246 1.818 . . . . 0.0 112.385 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 99.3 mt -66.56 -13.57 61.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.462 1.105 . . . . 0.0 111.215 172.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.2 p -55.24 -11.9 0.86 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 128.943 2.897 . . . . 0.0 114.801 175.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.99 26.62 2.34 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 126.087 1.803 . . . . 0.0 113.253 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.192 1.397 . . . . 0.0 114.509 -179.756 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.223 0.059 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.21 -32.11 0.4 Allowed Glycine 0 CA--C 1.536 1.393 0 N-CA-C 115.385 0.914 . . . . 0.0 115.385 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.9 p -130.72 -4.09 4.13 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.6 ttp -125.54 43.58 3.02 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.287 1.835 . . . . 0.0 110.606 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 99.3 t -110.71 134.66 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 127.148 2.179 . . . . 0.0 110.919 -175.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.38 141.56 56.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.996 1.319 . . . . 0.0 113.339 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -69.83 -12.29 61.51 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.77 -73.17 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.203 1.401 . . . . 0.0 111.846 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 p -70.49 -5.19 26.95 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.2 m80 47.61 36.95 5.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.982 1.713 . . . . 0.0 113.997 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -113.83 150.72 33.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.964 2.105 . . . . 0.0 110.207 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -69.33 140.44 54.31 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.745 0.818 . . . . 0.0 111.197 177.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 t -96.59 171.89 8.26 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.836 0.855 . . . . 0.0 111.843 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -71.72 -38.79 70.46 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.796 -1.19 . . . . 0.0 112.332 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -145.51 164.63 31.02 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.135 1.374 . . . . 0.0 111.755 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.3 -14.05 62.42 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.36 -45.18 9.18 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.425 1.49 . . . . 0.0 110.848 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -67.33 -20.55 65.61 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.119 0.568 . . . . 0.0 112.193 176.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.9 tp -52.48 -36.72 55.63 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.26 1.824 . . . . 0.0 113.046 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.72 -46.32 72.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.291 1.036 . . . . 0.0 110.988 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 m -63.98 -34.95 79.14 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.46 -0.775 . . . . 0.0 111.155 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -60.76 -60.33 3.97 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.365 1.466 . . . . 0.0 110.445 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -57.95 -38.6 76.28 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -70.01 -19.75 63.31 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 m -88.14 -46.24 9.45 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.531 -0.73 . . . . 0.0 109.471 174.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.0 m -54.61 -45.82 73.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.851 1.66 . . . . 0.0 113.651 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.6 tp -58.19 -19.56 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 C-N-CA 123.813 0.845 . . . . 0.0 112.559 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -110.23 5.57 21.91 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.904 2.082 . . . . 0.0 113.036 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.26 11.37 85.01 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.842 1.211 . . . . 0.0 115.576 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -106.49 159.86 15.84 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.793 1.297 . . . . 0.0 112.638 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 48.2 t -107.26 131.32 21.8 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 126.371 1.869 . . . . 0.0 110.9 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -57.74 154.61 36.44 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.467 2.111 . . . . 0.0 112.756 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 51.5 -24.8 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 120.109 3.374 . . . . 0.0 120.109 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -99.96 -15.48 18.29 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 121.009 1.731 . . . . 0.0 111.341 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 mpt? 59.39 11.21 2.11 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.734 2.814 . . . . 0.0 116.377 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 95.0 m -57.7 142.57 44.72 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.598 1.09 . . . . 0.0 110.466 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.0 mt -122.65 140.6 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.504 1.122 . . . . 0.0 111.287 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.0 t -150.35 -168.82 3.21 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.142 2.577 . . . . 0.0 109.034 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.19 148.78 51.34 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 119.995 -1.691 . . . . 0.0 110.975 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.01 4.42 5.47 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.7 p -75.03 145.24 42.58 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.694 1.198 . . . . 0.0 111.057 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -40.32 72.3 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.275 -0.89 . . . . 0.0 113.396 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 56.3 m -63.52 -41.44 98.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.678 1.191 . . . . 0.0 112.723 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.68 -40.76 69.38 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.125 0.57 . . . . 0.0 111.439 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.26 -46.03 78.51 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.603 0.761 . . . . 0.0 111.495 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -57.9 -40.07 79.42 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.812 0.845 . . . . 0.0 111.684 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.47 71.02 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.363 0.528 . . . . 0.0 111.976 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -77.7 -51.39 10.66 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.979 0.511 . . . . 0.0 111.319 175.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.55 -20.96 65.19 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.6 m -62.76 -21.33 65.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.695 0.798 . . . . 0.0 112.406 173.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.31 -1.33 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 126.152 1.781 . . . . 0.0 114.089 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.2 t -120.31 130.44 54.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.228 1.411 . . . . 0.0 113.839 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -132.89 6.69 3.98 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.221 1.808 . . . . 0.0 112.859 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.95 -18.97 64.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.076 0.951 . . . . 0.0 111.047 174.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.3 p -44.98 -23.37 0.14 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 129.687 3.195 . . . . 0.0 116.178 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.94 31.76 1.32 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.618 1.58 . . . . 0.0 112.916 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 125.335 1.454 . . . . 0.0 112.369 -177.483 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -158.11 179.7 33.62 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.547 1.07 . . . . 0.0 113.314 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.7 p -54.86 -21.46 11.49 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.6 ttt -90.61 1.29 56.91 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.672 1.189 . . . . 0.0 113.419 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 63.7 t -99.94 131.43 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.011 1.324 . . . . 0.0 110.746 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.59 146.31 52.27 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.585 1.554 . . . . 0.0 113.588 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -70.8 -16.0 62.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.11 1.364 . . . . 0.0 114.66 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -112.96 -73.58 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.019 1.328 . . . . 0.0 112.153 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.5 p -70.55 -3.98 20.74 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.8 m80 45.71 39.5 5.19 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.435 1.894 . . . . 0.0 113.501 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -121.72 168.3 11.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.462 2.305 . . . . 0.0 110.796 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -86.79 167.96 13.93 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.829 1.252 . . . . 0.0 111.559 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.8 t -128.8 171.62 12.08 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.136 1.775 . . . . 0.0 110.075 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -54.98 -38.78 68.27 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.128 -0.982 . . . . 0.0 112.144 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.74 162.99 34.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.736 1.614 . . . . 0.0 110.555 175.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.48 -11.77 61.1 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -94.14 -43.64 8.38 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.5 1.52 . . . . 0.0 111.102 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -63.62 -20.72 65.9 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.338 0.655 . . . . 0.0 111.529 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.0 tp -54.34 -30.24 50.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.559 1.943 . . . . 0.0 112.856 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.88 -37.64 88.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.741 0.817 . . . . 0.0 111.416 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -73.86 -35.97 64.8 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.119 -0.988 . . . . 0.0 110.144 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -57.26 -60.21 3.96 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.254 1.422 . . . . 0.0 111.066 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -57.78 -37.51 73.85 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.9 -22.02 62.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.244 0.617 . . . . 0.0 112.449 176.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 m -84.92 -46.22 11.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.469 0.708 . . . . 0.0 109.625 174.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.0 m -51.8 -47.73 64.15 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.431 1.492 . . . . 0.0 113.946 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.9 tp -59.06 -19.31 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 C-N-CA 124.119 0.968 . . . . 0.0 112.675 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -111.11 6.59 20.92 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 127.168 2.187 . . . . 0.0 112.843 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.11 13.7 82.49 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.77 1.176 . . . . 0.0 114.906 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -99.5 157.35 16.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.808 1.643 . . . . 0.0 112.325 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 42.7 t -104.75 133.74 20.01 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.832 1.653 . . . . 0.0 108.647 171.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -64.87 155.42 67.81 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 121.806 1.671 . . . . 0.0 111.426 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 50.73 -6.71 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 p -120.62 -14.92 8.55 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.843 1.657 . . . . 0.0 111.893 173.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 54.4 21.88 3.49 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.409 2.684 . . . . 0.0 116.144 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.8 m -63.94 140.17 58.84 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.055 -1.028 . . . . 0.0 108.905 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.9 mm -111.43 134.68 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.215 1.006 . . . . 0.0 111.163 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.2 p -145.49 -175.15 4.61 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.722 2.809 . . . . 0.0 109.044 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -69.78 145.99 51.77 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 119.975 -1.703 . . . . 0.0 111.007 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.11 40.45 0.21 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.696 1.599 . . . . 0.0 114.011 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.9 p -122.58 148.92 44.65 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.206 1.802 . . . . 0.0 110.801 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -57.4 -38.12 73.79 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.098 -1.001 . . . . 0.0 113.074 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m -61.23 -39.86 91.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.981 0.912 . . . . 0.0 112.877 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.32 -42.75 22.42 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.713 0.805 . . . . 0.0 112.38 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.23 -46.43 77.23 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.063 0.945 . . . . 0.0 112.049 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -58.96 -36.75 75.35 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.1 -1.0 . . . . 0.0 112.584 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.43 71.25 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.853 -0.529 . . . . 0.0 112.02 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -75.07 -48.03 25.91 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.8 -0.563 . . . . 0.0 111.03 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -62.8 -20.44 65.03 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.969 -1.082 . . . . 0.0 113.579 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.8 m -64.24 -19.97 65.73 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.487 0.715 . . . . 0.0 112.276 174.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.1 pt -126.27 -5.79 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 126.14 1.776 . . . . 0.0 114.101 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 19.5 t -107.39 133.48 51.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.432 1.493 . . . . 0.0 113.341 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -128.17 -2.36 5.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.082 2.153 . . . . 0.0 113.377 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.95 -7.54 53.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.04 1.336 . . . . 0.0 113.334 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.5 p -50.41 -18.04 0.57 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.37 2.268 . . . . 0.0 116.187 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.22 34.56 1.4 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.395 1.95 . . . . 0.0 112.165 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.724 2.009 . . . . 0.0 115.176 -178.753 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.699 0.285 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.21 -179.7 40.82 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.327 1.441 . . . . 0.0 112.098 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.2 p -53.91 -29.61 42.79 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 tpt -65.17 -11.17 37.57 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.268 1.827 . . . . 0.0 114.416 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.8 t -91.31 129.61 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.422 1.489 . . . . 0.0 110.551 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.99 143.58 42.68 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.884 1.274 . . . . 0.0 113.7 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -69.32 -16.47 63.56 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.359 1.464 . . . . 0.0 114.601 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.5 t -116.09 -58.71 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.113 1.365 . . . . 0.0 113.592 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.2 p -84.23 0.35 49.18 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 41.48 40.31 1.28 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.658 1.983 . . . . 0.0 114.25 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -116.52 147.74 41.49 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.272 2.229 . . . . 0.0 109.458 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.74 129.14 38.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.376 -0.827 . . . . 0.0 110.156 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.5 t -74.44 163.54 27.65 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.35 -45.55 93.06 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.392 1.077 . . . . 0.0 111.371 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.77 165.49 28.67 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.619 1.568 . . . . 0.0 111.522 177.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.93 -18.04 64.64 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -83.67 -43.62 15.37 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.778 1.631 . . . . 0.0 111.057 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -72.44 -17.84 61.75 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.4 tp -43.03 -50.21 5.99 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.823 2.449 . . . . 0.0 115.383 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -73.98 -40.25 63.12 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.476 -0.765 . . . . 0.0 111.899 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.9 m -59.61 -32.61 70.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.305 0.642 . . . . 0.0 111.529 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -61.83 -60.24 3.95 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.985 1.314 . . . . 0.0 111.072 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -57.94 -35.38 71.03 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.83 -20.19 65.61 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.26 1.024 . . . . 0.0 113.484 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.8 m -102.2 -36.18 8.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.945 0.898 . . . . 0.0 110.863 176.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 79.0 m -55.51 -45.12 77.13 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.54 1.136 . . . . 0.0 112.393 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.63 -19.44 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 124.363 1.065 . . . . 0.0 112.915 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -110.17 5.96 22.34 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 127.065 2.146 . . . . 0.0 112.973 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.84 26.21 74.66 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.778 1.18 . . . . 0.0 114.738 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -120.64 146.27 46.57 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.384 1.474 . . . . 0.0 113.408 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.5 t -76.84 134.81 68.21 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-O 118.74 -0.648 . . . . 0.0 109.563 172.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.53 -12.69 36.19 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.073 2.516 . . . . 0.0 116.006 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -136.43 -43.39 0.62 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.6 p -82.44 -6.4 59.27 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 121.226 1.83 . . . . 0.0 112.305 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.8 mmt 59.09 18.67 6.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.394 2.678 . . . . 0.0 115.365 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 m -58.11 138.28 56.24 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.677 0.791 . . . . 0.0 109.742 174.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.6 mm -113.22 135.13 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.939 1.296 . . . . 0.0 110.723 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.7 t -156.8 -168.9 2.8 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.083 2.153 . . . . 0.0 109.339 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -69.63 153.65 43.13 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.164 -1.585 . . . . 0.0 111.661 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.67 4.61 9.1 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.948 0.899 . . . . 0.0 113.323 177.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.2 p -78.37 153.12 31.89 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.172 1.389 . . . . 0.0 112.713 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.94 -43.04 95.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.778 0.831 . . . . 0.0 112.013 177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m -59.13 -36.18 74.77 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.822 0.849 . . . . 0.0 112.705 178.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.22 -41.29 25.42 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.682 0.793 . . . . 0.0 112.218 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.45 -38.59 62.94 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -63.32 -40.82 98.39 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.584 -1.322 . . . . 0.0 110.629 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.0 75.04 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.045 0.538 . . . . 0.0 111.461 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -65.76 -56.83 9.93 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.928 0.891 . . . . 0.0 111.191 174.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -66.19 -20.66 66.2 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.1 m -64.39 -19.73 65.68 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.168 -0.958 . . . . 0.0 112.453 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.7 pt -121.83 -2.02 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.59 1.556 . . . . 0.0 114.206 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.5 t -118.12 125.33 50.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.558 1.543 . . . . 0.0 112.744 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -130.76 16.15 5.29 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.236 1.814 . . . . 0.0 112.2 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.15 -12.18 59.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.135 1.374 . . . . 0.0 110.874 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 p -55.29 0.59 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 130.53 3.532 . . . . 0.0 117.418 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.18 28.83 0.89 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 126.073 1.797 . . . . 0.0 112.807 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.094 1.358 . . . . 0.0 112.691 -177.765 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 53.5 ttp . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -166.87 -175.76 37.29 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.475 1.036 . . . . 0.0 113.182 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.0 p -57.42 -19.61 24.71 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.5 ttt -83.73 4.72 27.58 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.16 1.384 . . . . 0.0 113.441 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.2 t -103.26 133.44 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.303 1.441 . . . . 0.0 111.495 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.3 t -63.73 144.98 56.6 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.624 1.57 . . . . 0.0 113.235 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -70.2 -12.0 61.29 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -116.02 -71.51 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 124.812 1.245 . . . . 0.0 112.199 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 p -72.7 -2.16 19.15 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.2 m80 43.33 40.19 2.46 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.477 1.911 . . . . 0.0 113.564 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -123.05 164.55 18.38 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.785 2.434 . . . . 0.0 110.46 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.43 173.68 12.36 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.803 1.241 . . . . 0.0 112.222 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.6 t -132.88 164.19 27.46 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.349 1.86 . . . . 0.0 109.181 176.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -55.38 -32.05 62.29 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.253 -0.904 . . . . 0.0 112.317 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.24 158.1 44.1 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.447 1.499 . . . . 0.0 110.769 174.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.72 -11.09 60.48 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -90.78 -45.28 8.91 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.491 1.516 . . . . 0.0 111.198 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -66.44 -17.13 64.61 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.342 0.657 . . . . 0.0 112.089 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.2 tp -55.15 -31.91 61.69 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.99 1.716 . . . . 0.0 112.693 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.97 -34.56 76.79 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.113 -0.992 . . . . 0.0 111.708 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 m -75.25 -33.64 61.33 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.361 -0.837 . . . . 0.0 110.054 173.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -56.09 -59.4 4.98 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.568 1.547 . . . . 0.0 110.288 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -56.69 -38.81 72.76 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 178.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -69.51 -19.9 63.72 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.747 0.819 . . . . 0.0 112.872 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -91.19 -43.03 10.1 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.159 0.984 . . . . 0.0 109.699 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.6 m -55.21 -45.6 75.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.851 1.66 . . . . 0.0 113.355 176.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.9 tp -59.03 -19.46 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.653 0.781 . . . . 0.0 112.346 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -110.6 7.24 22.34 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.269 2.228 . . . . 0.0 112.599 177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.36 20.62 78.35 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.577 1.56 . . . . 0.0 115.761 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -117.53 158.02 25.29 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.349 1.575 . . . . 0.0 113.641 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.9 t -89.96 137.01 28.39 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 125.126 1.37 . . . . 0.0 110.56 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.55 -13.94 42.35 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.432 2.755 . . . . 0.0 116.644 -177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -132.26 -42.61 0.97 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -176.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.4 p -84.02 -6.2 59.37 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 121.153 1.797 . . . . 0.0 112.158 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.38 7.32 1.26 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.746 2.818 . . . . 0.0 115.918 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 56.6 m -57.91 144.72 38.1 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.598 1.159 . . . . 0.0 110.477 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.5 mt -121.75 138.21 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.552 1.141 . . . . 0.0 110.814 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.2 p -142.22 -174.27 4.06 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.948 2.899 . . . . 0.0 108.715 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 mp0 -65.62 150.48 48.37 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.174 -1.579 . . . . 0.0 109.256 172.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.31 7.18 3.68 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.7 p -78.52 151.06 32.74 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.923 1.289 . . . . 0.0 112.205 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.35 -41.68 89.76 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.321 -0.862 . . . . 0.0 112.215 178.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.4 m -59.41 -38.12 79.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.265 1.026 . . . . 0.0 112.701 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.04 -39.66 29.38 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.521 0.728 . . . . 0.0 112.068 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.4 mt -72.33 -43.04 64.7 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -59.22 -40.94 87.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.617 1.098 . . . . 0.0 111.323 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.39 71.26 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.048 0.539 . . . . 0.0 111.928 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.05 -43.73 42.49 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.383 0.673 . . . . 0.0 112.385 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -68.98 -19.57 64.16 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.109 -1.619 . . . . 0.0 112.814 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.3 m -73.25 -19.45 61.06 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.306 -0.872 . . . . 0.0 110.412 169.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -95.9 -30.48 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 128.949 2.9 . . . . 0.0 111.804 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.6 t -114.24 141.31 47.72 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.169 1.787 . . . . 0.0 114.911 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -139.01 7.24 2.44 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.58 1.952 . . . . 0.0 112.57 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 99.4 mt -75.62 -5.97 48.09 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.955 1.302 . . . . 0.0 112.816 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 64.0 p -55.5 5.11 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 129.921 3.289 . . . . 0.0 117.57 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.74 28.29 0.19 Allowed Glycine 0 CA--C 1.535 1.321 0 C-N-CA 126.491 1.996 . . . . 0.0 112.48 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.63 1.572 . . . . 0.0 114.662 -178.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.68 -40.63 0.86 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.029 0.823 . . . . 0.0 115.026 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.9 p -60.4 -23.93 64.75 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.1 ttt -125.92 28.49 6.12 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.203 1.801 . . . . 0.0 111.734 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.3 t -125.38 138.55 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.398 1.479 . . . . 0.0 111.066 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.41 150.66 21.78 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.421 1.488 . . . . 0.0 114.085 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.25 -14.26 57.63 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.649 1.18 . . . . 0.0 113.898 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.85 -65.53 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.984 1.314 . . . . 0.0 113.13 -177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.8 p -79.64 -9.19 59.6 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.309 1.4 t60 49.94 38.16 15.58 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.412 1.885 . . . . 0.0 114.771 -177.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -109.78 160.22 16.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.526 1.93 . . . . 0.0 110.645 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -75.73 160.23 30.25 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.61 1.164 . . . . 0.0 111.612 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.1 t -129.11 165.84 20.47 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.539 1.535 . . . . 0.0 111.061 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -53.43 -43.75 68.27 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.243 1.417 . . . . 0.0 113.013 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 p -143.8 165.28 28.13 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.126 1.37 . . . . 0.0 111.318 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.47 -14.31 62.91 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 175.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -90.19 -45.2 9.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.352 1.461 . . . . 0.0 110.512 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -66.43 -17.63 64.9 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.526 0.731 . . . . 0.0 111.878 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.24 -34.14 68.28 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.872 1.669 . . . . 0.0 112.554 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.92 -45.39 82.04 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.362 0.665 . . . . 0.0 110.209 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.1 m -62.02 -31.21 71.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.656 1.182 . . . . 0.0 111.591 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -68.02 -60.61 2.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.064 1.346 . . . . 0.0 110.497 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -59.64 -39.84 85.69 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -68.2 -19.62 64.78 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.062 0.846 . . . . 0.0 113.008 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 m -87.15 -46.41 9.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.526 0.73 . . . . 0.0 109.825 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 93.2 m -53.11 -44.52 67.7 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.173 1.389 . . . . 0.0 113.832 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.9 tp -58.93 -19.56 15.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 123.823 0.849 . . . . 0.0 112.733 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -113.2 7.26 17.8 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.966 2.107 . . . . 0.0 112.742 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.57 8.7 84.37 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 125.353 1.454 . . . . 0.0 115.987 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -90.82 153.84 19.94 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.699 1.599 . . . . 0.0 111.897 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 52.8 t -107.61 131.39 21.76 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.516 1.926 . . . . 0.0 108.688 171.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -64.32 155.86 63.23 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.128 1.885 . . . . 0.0 111.755 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 53.42 -40.85 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 130.224 3.41 . . . . 0.0 119.249 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 p -84.93 -13.62 50.23 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 121.781 2.082 . . . . 0.0 111.914 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.3 mmt 57.42 24.59 10.35 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.787 2.835 . . . . 0.0 116.657 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.2 m -66.1 147.1 53.85 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.308 -0.87 . . . . 0.0 109.374 173.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.0 mt -131.7 139.38 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.385 1.074 . . . . 0.0 110.256 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.4 t -148.33 -167.73 2.89 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.744 1.618 . . . . 0.0 112.607 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -53.63 -8.08 0.14 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 129.812 3.245 . . . . 0.0 118.982 -174.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 65.82 8.63 5.43 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.2 p -90.45 150.55 21.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.356 1.062 . . . . 0.0 110.308 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.74 -32.12 67.13 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.931 -1.105 . . . . 0.0 112.807 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -68.23 -44.98 74.5 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.089 0.956 . . . . 0.0 111.848 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.68 78.93 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.226 0.61 . . . . 0.0 111.965 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.23 -48.11 58.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.609 0.764 . . . . 0.0 110.931 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -59.9 -37.0 78.15 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.341 0.973 . . . . 0.0 111.849 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.15 -35.42 77.06 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.536 0.607 . . . . 0.0 111.699 175.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -72.71 -49.1 33.45 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.775 -0.578 . . . . 0.0 110.982 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -63.35 -19.85 65.0 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.3 m -63.45 -20.98 66.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.466 0.706 . . . . 0.0 111.978 172.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.4 pt -123.58 -5.0 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 C-N-CA 126.409 1.884 . . . . 0.0 114.017 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 15.5 t -116.67 125.13 51.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.485 1.514 . . . . 0.0 114.309 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -128.78 11.79 6.19 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.716 1.606 . . . . 0.0 112.965 173.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.0 mp -75.34 -8.89 57.86 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.857 1.263 . . . . 0.0 111.37 176.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 68.4 p -47.05 -16.34 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 130.387 3.475 . . . . 0.0 117.96 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.26 32.65 1.96 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.717 1.627 . . . . 0.0 112.58 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.346 0 CA-C-O 115.895 -2.002 . . . . 0.0 115.727 -178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 110.725 -0.102 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.01 166.42 33.36 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.313 0.959 . . . . 0.0 113.416 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.1 p -65.82 -10.81 41.15 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt -105.93 14.13 28.42 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.9 2.08 . . . . 0.0 112.087 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 t -126.46 137.94 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.167 1.387 . . . . 0.0 111.53 -175.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.5 t -59.64 151.12 25.55 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.75 1.62 . . . . 0.0 114.085 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -83.29 -9.34 59.16 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.735 1.214 . . . . 0.0 114.079 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -116.71 -60.82 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.996 1.318 . . . . 0.0 113.348 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.0 p -86.38 -7.23 58.62 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.324 1.8 t60 47.71 39.96 11.17 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.395 1.878 . . . . 0.0 115.308 -176.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -114.5 160.35 19.31 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.571 1.948 . . . . 0.0 110.389 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.7 170.5 16.56 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.554 1.142 . . . . 0.0 112.539 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.3 t -134.78 169.82 16.78 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.963 1.705 . . . . 0.0 110.786 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -55.6 -40.65 72.35 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.75 1.22 . . . . 0.0 112.302 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 p -142.59 164.31 30.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.621 1.568 . . . . 0.0 111.358 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.62 -13.45 61.76 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 121.566 -0.709 . . . . 0.0 112.903 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -88.28 -46.28 9.34 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.567 1.547 . . . . 0.0 110.769 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -18.28 65.18 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.455 1.102 . . . . 0.0 111.661 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.37 -31.68 66.02 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.396 1.478 . . . . 0.0 112.286 175.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.16 -46.06 82.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.479 -0.763 . . . . 0.0 110.028 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 m -62.42 -31.93 72.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.021 0.929 . . . . 0.0 111.239 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -64.96 -60.65 2.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.007 1.323 . . . . 0.0 110.518 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -59.16 -41.02 87.39 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.89 -19.58 64.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.008 0.822 . . . . 0.0 113.02 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 m -87.26 -46.14 9.98 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.432 0.693 . . . . 0.0 109.477 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -53.67 -45.23 70.22 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.525 1.53 . . . . 0.0 113.575 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.1 tp -58.33 -19.51 13.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.723 0.809 . . . . 0.0 112.623 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -110.55 6.35 21.86 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.189 2.196 . . . . 0.0 112.852 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.76 15.99 80.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.873 1.225 . . . . 0.0 115.001 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.09 161.28 15.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.308 1.443 . . . . 0.0 112.579 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 50.9 t -108.52 136.9 19.87 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 126.393 1.877 . . . . 0.0 110.396 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -65.25 157.15 59.22 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.39 2.06 . . . . 0.0 111.407 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 52.78 -28.76 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 129.787 3.235 . . . . 0.0 119.564 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.1 p -96.47 -18.24 19.99 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 121.604 2.002 . . . . 0.0 110.985 172.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.3 mtt 58.77 14.39 3.19 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 128.558 2.743 . . . . 0.0 116.383 176.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.4 m -60.82 144.35 52.79 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.054 0.942 . . . . 0.0 110.294 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.7 mt -121.45 142.15 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.663 1.185 . . . . 0.0 111.403 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.2 t -149.42 -167.11 2.74 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 128.616 2.767 . . . . 0.0 108.455 176.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.76 148.86 48.62 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 119.842 -1.786 . . . . 0.0 111.001 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.29 5.23 4.72 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.9 p -76.46 149.32 36.82 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.518 1.127 . . . . 0.0 111.626 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -58.24 -41.67 84.68 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.161 -0.962 . . . . 0.0 112.191 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 m -59.72 -39.4 84.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.185 0.994 . . . . 0.0 112.754 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.78 -38.45 46.68 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.454 0.701 . . . . 0.0 111.89 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.7 mt -69.97 -47.21 63.18 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.785 -0.572 . . . . 0.0 111.758 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -59.73 -36.15 76.0 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.145 0.884 . . . . 0.0 111.701 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.64 85.46 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.532 0.605 . . . . 0.0 111.18 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -72.7 -46.74 52.14 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.834 -0.542 . . . . 0.0 111.447 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -64.32 -20.71 66.27 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.478 -1.389 . . . . 0.0 113.717 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t -74.18 -19.68 60.46 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.088 0.955 . . . . 0.0 112.028 171.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.95 -34.46 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 127.838 2.455 . . . . 0.0 112.053 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.7 t -97.87 147.33 24.55 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -169.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.72 7.48 1.68 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.119 2.168 . . . . 0.0 112.918 175.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.1 mp -83.83 -6.76 59.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.239 1.416 . . . . 0.0 112.881 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.4 p -48.74 -17.68 0.2 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 128.371 2.669 . . . . 0.0 117.194 -177.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.83 30.79 1.37 Allowed Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.812 1.672 . . . . 0.0 112.685 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.5 ptt85 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 125.982 1.713 . . . . 0.0 114.886 -179.285 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.1 ttm . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -164.94 -170.99 30.63 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.538 1.066 . . . . 0.0 113.149 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.0 m -52.96 -17.44 1.43 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt -89.55 6.93 38.87 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.639 1.576 . . . . 0.0 113.158 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.8 t -117.86 139.19 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.125 1.37 . . . . 0.0 111.9 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.3 t -60.94 145.28 51.03 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.087 1.755 . . . . 0.0 113.636 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.31 -13.8 60.45 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 80.2 t -113.3 -61.44 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.737 1.215 . . . . 0.0 113.441 -176.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.3 p -89.03 0.7 56.45 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 45.11 40.13 4.51 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.505 1.922 . . . . 0.0 113.682 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -116.37 166.44 12.06 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.098 2.159 . . . . 0.0 111.144 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -90.24 167.81 12.41 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.043 1.337 . . . . 0.0 111.856 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.1 t -133.17 164.05 27.91 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.195 1.798 . . . . 0.0 110.153 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.39 -33.75 68.16 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -142.5 158.56 43.56 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.887 1.275 . . . . 0.0 111.588 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.87 -16.46 64.1 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.49 -48.97 9.06 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.509 1.524 . . . . 0.0 109.071 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.05 -15.2 63.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.824 0.85 . . . . 0.0 111.76 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.04 -28.93 70.13 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.89 1.276 . . . . 0.0 111.368 172.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.6 -36.27 70.76 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.813 -1.179 . . . . 0.0 109.613 172.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 m -67.57 -32.48 73.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.966 1.306 . . . . 0.0 110.691 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -64.35 -63.54 1.11 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.348 1.859 . . . . 0.0 111.357 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -57.39 -39.92 77.13 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -68.14 -18.51 64.64 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -94.65 -40.43 9.82 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.332 1.053 . . . . 0.0 110.258 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 92.0 m -55.54 -41.14 72.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.566 1.546 . . . . 0.0 113.525 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.8 tt -58.11 -19.8 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -111.43 9.6 21.42 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.276 1.831 . . . . 0.0 112.518 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.8 25.41 74.15 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.083 1.325 . . . . 0.0 114.673 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -117.23 148.77 41.35 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.276 1.43 . . . . 0.0 113.591 -174.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.2 t -79.95 135.61 55.1 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 124.097 0.959 . . . . 0.0 110.835 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -50.39 -33.21 36.65 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 124.556 3.504 . . . . 0.0 117.853 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -139.47 -25.95 0.83 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 -175.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -5.53 59.17 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.545 1.975 . . . . 0.0 112.813 177.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.7 mmt 62.66 13.4 6.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.261 2.624 . . . . 0.0 115.25 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.1 m -64.15 141.72 58.67 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.193 -0.942 . . . . 0.0 109.51 174.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.7 mt -129.3 139.29 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.848 1.259 . . . . 0.0 110.091 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.8 t -152.45 -166.73 2.55 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.764 2.426 . . . . 0.0 109.131 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -65.29 152.25 44.21 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.255 -1.528 . . . . 0.0 111.918 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.32 0.63 16.08 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.0 p -71.77 148.55 46.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.906 1.282 . . . . 0.0 111.824 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -38.99 79.45 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.554 -0.716 . . . . 0.0 112.34 177.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -60.12 -44.45 94.88 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.933 0.893 . . . . 0.0 112.952 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.5 -42.99 70.6 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.612 -0.68 . . . . 0.0 111.897 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.5 mt -68.79 -39.16 80.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.19 0.596 . . . . 0.0 112.21 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -62.94 -39.21 93.93 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.758 -1.214 . . . . 0.0 110.737 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.87 93.62 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.499 0.591 . . . . 0.0 110.868 174.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -63.25 -56.66 14.74 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.799 0.84 . . . . 0.0 111.104 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -65.16 -19.7 66.1 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.925 -1.109 . . . . 0.0 113.948 -177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.3 m -66.15 -19.94 65.99 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.383 -0.823 . . . . 0.0 112.273 172.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 pp -121.21 1.36 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.753 1.621 . . . . 0.0 114.212 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.8 t -124.78 134.15 52.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.965 1.706 . . . . 0.0 112.819 -178.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -128.89 -0.23 5.33 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.821 1.648 . . . . 0.0 113.724 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.3 -5.25 34.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.698 1.199 . . . . 0.0 112.537 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.2 p -50.51 -25.29 3.88 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 128.415 2.686 . . . . 0.0 115.685 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.22 33.84 0.38 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.648 1.118 . . . . 0.0 113.474 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.98 2.112 . . . . 0.0 110.824 -177.384 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 110.783 -0.08 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.57 173.51 44.75 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.496 1.046 . . . . 0.0 113.159 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 p -61.61 -13.93 26.18 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 tpt -118.29 21.41 12.7 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.775 2.03 . . . . 0.0 112.157 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 t -128.47 126.89 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.102 1.361 . . . . 0.0 111.482 -176.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.39 148.17 38.18 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.26 1.424 . . . . 0.0 114.655 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.81 -12.48 60.7 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.912 1.685 . . . . 0.0 114.284 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.86 -66.16 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.502 1.521 . . . . 0.0 112.917 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.58 -8.89 59.76 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.289 0.1 OUTLIER 52.33 34.68 15.4 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.249 1.42 . . . . 0.0 114.529 -177.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -118.27 159.29 23.61 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.505 2.322 . . . . 0.0 109.786 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -79.73 171.9 14.51 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.498 1.119 . . . . 0.0 113.145 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.7 t -123.9 178.43 5.27 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.155 2.182 . . . . 0.0 109.346 177.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.02 -35.79 77.82 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.451 -1.405 . . . . 0.0 111.059 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 p -140.64 160.4 40.11 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.858 1.663 . . . . 0.0 111.354 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.18 -13.38 62.16 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -86.73 -45.65 10.76 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.365 1.466 . . . . 0.0 111.11 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.13 -12.49 61.64 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.3 tp -57.55 -30.94 65.63 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.385 1.474 . . . . 0.0 112.087 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.83 -37.4 87.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.749 1.22 . . . . 0.0 111.023 175.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.8 m -77.0 -33.46 57.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.219 1.007 . . . . 0.0 110.825 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -56.16 -60.01 4.1 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.761 1.624 . . . . 0.0 110.003 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -56.83 -37.55 71.38 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -67.87 -19.28 65.01 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.407 1.083 . . . . 0.0 113.044 177.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.5 m -95.25 -41.01 9.27 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.676 1.191 . . . . 0.0 110.034 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.7 m -55.71 -41.57 73.99 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.767 1.627 . . . . 0.0 113.416 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.1 tt -58.22 -19.7 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 123.639 0.776 . . . . 0.0 112.98 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -112.4 9.93 19.77 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.462 1.905 . . . . 0.0 112.444 176.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.45 24.32 77.01 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.479 1.514 . . . . 0.0 115.761 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -119.11 152.52 36.36 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.705 1.602 . . . . 0.0 114.128 -175.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.1 t -81.42 138.09 48.26 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.779 1.232 . . . . 0.0 111.156 174.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -65.35 -13.26 38.84 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.694 2.929 . . . . 0.0 116.136 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -132.46 -43.81 0.92 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 116.976 2.213 . . . . 0.0 116.976 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.4 p -84.28 -5.98 59.33 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 121.351 1.887 . . . . 0.0 112.236 178.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.0 mmt 59.7 8.49 1.32 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.62 2.768 . . . . 0.0 115.621 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.1 m -59.83 145.1 46.73 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.589 1.156 . . . . 0.0 110.195 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.6 mt -125.01 138.01 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.967 1.307 . . . . 0.0 110.001 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.1 p -131.58 -84.01 0.51 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.913 1.285 . . . . 0.0 108.895 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -152.31 156.46 39.68 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.265 2.226 . . . . 0.0 109.837 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.79 -0.68 21.9 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.1 p -73.81 146.98 43.79 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.218 1.007 . . . . 0.0 111.37 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.84 -31.97 72.26 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.149 -0.97 . . . . 0.0 111.534 176.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.8 m -63.07 -44.0 96.99 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.477 1.111 . . . . 0.0 112.701 177.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.97 -41.33 59.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.226 0.61 . . . . 0.0 111.633 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.93 -44.72 76.18 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.641 0.776 . . . . 0.0 112.584 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.56 -39.34 87.65 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.023 1.283 . . . . 0.0 111.342 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.43 94.19 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.188 0.449 . . . . 0.0 111.105 175.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -69.47 -50.65 43.45 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.257 0.623 . . . . 0.0 111.942 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -65.45 -19.87 66.12 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.441 -1.412 . . . . 0.0 113.733 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -72.49 -19.56 61.53 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.539 0.736 . . . . 0.0 111.669 170.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.25 -35.36 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 127.977 2.511 . . . . 0.0 111.452 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.0 t -95.42 125.66 40.19 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 -169.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -117.81 1.85 12.16 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.88 2.072 . . . . 0.0 111.965 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.9 -5.56 41.86 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.403 1.481 . . . . 0.0 112.758 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.8 p -56.39 13.49 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 130.048 3.339 . . . . 0.0 117.414 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.26 23.54 0.11 Allowed Glycine 0 CA--C 1.54 1.603 0 C-N-CA 127.484 2.469 . . . . 0.0 112.742 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.545 1.538 . . . . 0.0 114.578 -178.584 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.734 -0.65 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -164.31 -28.58 0.02 OUTLIER Glycine 0 N--CA 1.477 1.405 0 N-CA-C 116.779 1.472 . . . . 0.0 116.779 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.1 p -56.17 -27.52 54.72 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 ttt -127.23 33.03 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.071 1.748 . . . . 0.0 111.878 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.4 t -125.33 135.86 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.257 1.423 . . . . 0.0 111.467 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.8 t -64.09 144.74 56.88 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.036 1.335 . . . . 0.0 112.618 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.43 -14.05 62.39 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.0 1.32 . . . . 0.0 114.196 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.26 -71.75 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 125.207 1.403 . . . . 0.0 112.878 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 p -72.82 -4.01 29.01 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . 0.251 51.6 m80 47.87 35.28 4.67 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.02 2.128 . . . . 0.0 114.326 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -118.62 163.09 17.33 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.333 2.253 . . . . 0.0 110.223 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -80.51 168.31 19.09 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.185 0.994 . . . . 0.0 112.847 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.8 t -119.32 167.3 12.02 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.235 1.814 . . . . 0.0 109.123 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -55.03 -35.87 64.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.236 -0.915 . . . . 0.0 112.178 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 p -141.77 162.33 35.75 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.503 1.521 . . . . 0.0 111.199 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.95 -16.8 62.1 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 121.44 -0.788 . . . . 0.0 112.423 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -79.9 -47.56 14.87 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.849 1.66 . . . . 0.0 111.11 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -75.6 -4.67 41.38 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 tp -57.2 -33.03 67.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.095 1.358 . . . . 0.0 112.404 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.64 -50.61 64.38 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.589 -0.695 . . . . 0.0 109.42 173.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 m -55.3 -35.46 65.12 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.26 1.024 . . . . 0.0 111.479 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -61.35 -60.17 4.15 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.037 1.335 . . . . 0.0 110.576 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -60.01 -36.97 78.36 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -68.17 -19.99 64.83 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 118.868 0.758 . . . . 0.0 112.781 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.8 m -88.77 -45.03 10.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.655 0.782 . . . . 0.0 109.737 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.9 m -55.84 -44.68 78.22 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.525 1.53 . . . . 0.0 113.378 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.6 tp -59.46 -19.38 16.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 123.522 0.729 . . . . 0.0 112.485 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -108.19 6.75 27.02 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.053 2.141 . . . . 0.0 112.736 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.29 23.87 77.27 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.311 1.434 . . . . 0.0 115.706 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -122.97 159.35 28.51 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.905 1.682 . . . . 0.0 113.268 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 43.3 t -94.03 137.94 22.81 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.348 1.459 . . . . 0.0 111.793 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -64.98 148.78 89.89 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 121.371 1.381 . . . . 0.0 109.799 173.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 53.76 -42.52 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 129.485 3.114 . . . . 0.0 118.569 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -25.6 56.19 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 121.313 1.87 . . . . 0.0 111.037 175.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . 0.25 61.2 mtt 61.91 13.64 5.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.927 2.491 . . . . 0.0 116.303 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.9 m -58.78 140.94 54.34 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.111 0.964 . . . . 0.0 110.155 174.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.0 mt -121.83 142.91 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.877 1.271 . . . . 0.0 110.712 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 81' ' ' GLU . 4.5 t -144.09 -89.22 0.12 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.781 1.232 . . . . 0.0 109.479 174.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.537 ' H ' HG23 ' A' ' 80' ' ' THR . 51.6 mm-40 -149.64 158.07 43.83 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.995 2.118 . . . . 0.0 109.171 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.9 1.26 18.1 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.5 p -76.12 145.46 39.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.363 1.065 . . . . 0.0 111.516 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.09 -38.05 81.79 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.105 -0.997 . . . . 0.0 111.597 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 m -58.34 -38.77 77.84 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.226 1.01 . . . . 0.0 112.715 177.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.06 -40.41 27.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.669 0.787 . . . . 0.0 112.148 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.13 -39.53 71.94 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.828 -0.545 . . . . 0.0 112.094 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -59.68 -43.91 93.84 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.973 -1.079 . . . . 0.0 110.737 175.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.19 -37.95 81.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.52 0.728 . . . . 0.0 111.667 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -64.35 -54.31 35.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.577 0.751 . . . . 0.0 111.287 175.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -65.99 -20.94 66.36 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 -175.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.2 m -62.04 -19.87 63.34 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.699 0.681 . . . . 0.0 112.616 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.6 pt -124.64 3.42 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 125.618 1.567 . . . . 0.0 115.073 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.2 t -121.83 136.05 54.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.865 1.266 . . . . 0.0 114.326 -177.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.52 16.18 2.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.629 1.971 . . . . 0.0 113.616 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.7 mt -94.69 8.7 41.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.119 1.368 . . . . 0.0 111.665 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.2 p -55.74 -17.05 5.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.648 2.379 . . . . 0.0 116.048 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.24 32.79 0.29 Allowed Glycine 0 CA--C 1.535 1.289 0 C-N-CA 126.151 1.834 . . . . 0.0 111.617 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.9 ttm105 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 127.018 2.127 . . . . 0.0 111.437 -174.622 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_