data_2ruh_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 2ruh _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 20.8 t80 . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 117.376 2.361 . . . . 0.0 117.376 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -66.19 -28.57 68.86 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -64.49 -35.41 80.86 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.217 -0.927 . . . . 0.0 111.365 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -71.14 -43.37 67.71 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 169.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -66.28 -35.49 80.52 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.05 0.94 . . . . 0.0 111.655 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 39.1 tp -58.55 -32.31 68.77 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.042 -1.036 . . . . 0.0 112.539 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -72.4 -17.0 61.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.208 1.003 . . . . 0.0 113.553 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.69 -46.64 68.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.286 0.948 . . . . 0.0 110.088 167.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.2 mtm -78.27 -39.97 38.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.301 0.64 . . . . 0.0 111.341 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 126.667 1.987 . . . . 0.0 110.7 169.404 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.537 0.471 0 CA-C-O 121.427 0.632 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.88 163.99 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 127.319 2.247 . . . . 0.0 113.147 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.3 87.25 3.91 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 125.128 1.371 . . . . 0.0 112.225 173.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -66.11 148.13 84.89 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.719 2.28 . . . . 0.0 112.637 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -50.69 150.22 5.24 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 124.788 1.235 . . . . 0.0 113.149 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -56.16 -34.96 94.55 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.08 2.52 . . . . 0.0 113.638 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.11 -35.99 80.38 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.739 1.216 . . . . 0.0 112.557 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 tp -79.39 -41.1 28.5 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.877 0.871 . . . . 0.0 111.78 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.8 tp -55.93 -39.95 72.41 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.806 0.842 . . . . 0.0 111.807 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -55.85 -43.98 77.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.333 1.053 . . . . 0.0 112.604 169.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.22 -43.77 81.19 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.074 0.95 . . . . 0.0 111.866 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.71 -42.49 97.34 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.706 0.802 . . . . 0.0 110.616 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -72.24 -22.63 61.21 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.786 -1.196 . . . . 0.0 114.18 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -64.73 -22.93 67.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.653 0.781 . . . . 0.0 112.828 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.9 m -105.67 13.05 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.738 1.615 . . . . 0.0 113.35 168.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.74 29.88 30.99 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.967 1.27 . . . . 0.0 115.851 169.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.92 134.52 49.67 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 119.12 1.46 . . . . 0.0 111.434 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.59 -41.38 14.33 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -168.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -77.79 175.63 9.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.067 1.347 . . . . 0.0 114.228 -169.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -109.52 -23.79 11.32 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.142 1.777 . . . . 0.0 114.82 167.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 147.43 39.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.695 1.998 . . . . 0.0 106.326 169.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -140.15 151.36 45.22 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -75.49 155.42 36.2 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 165.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.49 -38.02 76.77 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.864 -1.147 . . . . 0.0 112.307 173.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -67.69 -37.21 81.98 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.72 -46.01 90.09 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.871 1.214 . . . . 0.0 112.805 172.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.0 -51.03 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 122.947 0.499 . . . . 0.0 110.263 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.4 mt -58.51 -43.81 89.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.187 0.595 . . . . 0.0 112.087 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -54.58 -56.63 16.93 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -63.03 -39.99 96.4 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.42 -41.48 98.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.941 0.896 . . . . 0.0 111.57 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.72 -42.93 99.82 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.843 0.735 . . . . 0.0 112.55 172.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.09 -34.08 74.37 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.623 1.212 . . . . 0.0 113.316 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -68.73 -49.24 60.38 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.882 0.765 . . . . 0.0 111.98 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.4 mt -57.84 -42.23 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.413 1.085 . . . . 0.0 110.952 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 33.2 ttm -59.99 -56.21 24.51 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.83 1.652 . . . . 0.0 111.868 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.23 -35.32 80.12 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -76.8 -12.18 59.94 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.382 1.473 . . . . 0.0 114.374 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 54.53 43.06 30.87 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.058 1.743 . . . . 0.0 113.68 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.9 mt -76.77 -13.19 60.04 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -66.72 147.35 53.37 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -65.45 130.99 45.27 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.446 -0.784 . . . . 0.0 112.548 169.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -59.99 -30.76 69.34 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.282 -0.886 . . . . 0.0 112.748 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -83.15 -64.64 1.13 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.397 1.079 . . . . 0.0 111.375 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -88.2 84.45 6.89 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.045 0.938 . . . . 0.0 110.474 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -60.02 -21.43 61.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.736 1.215 . . . . 0.0 113.203 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -87.37 5.36 39.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.806 1.643 . . . . 0.0 114.39 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.2 mt -121.77 127.11 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.249 1.386 . . . . 0.0 110.398 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.28 137.68 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.854 1.661 . . . . 0.0 110.204 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -123.2 125.84 45.85 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.492 1.917 . . . . 0.0 113.108 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 33.5 t -159.61 108.99 1.84 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.773 0.829 . . . . 0.0 109.637 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.8 p -120.2 148.4 43.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.197 1.399 . . . . 0.0 111.896 170.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 55.43 25.5 7.78 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.002 1.721 . . . . 0.0 115.231 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -142.65 167.12 22.84 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.758 1.623 . . . . 0.0 110.368 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.1 tp -50.1 -45.42 52.72 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.276 1.83 . . . . 0.0 115.686 -167.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.85 -32.39 69.39 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.351 -0.843 . . . . 0.0 113.077 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.67 -39.48 77.72 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.97 0.795 . . . . 0.0 112.348 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.67 -32.61 74.14 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.8 mt -69.2 -60.59 2.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.981 1.312 . . . . 0.0 111.902 169.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.289 41.3 m-85 -67.17 -23.18 65.74 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 118.011 2.597 . . . . 0.0 118.011 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.51 16.4 77.54 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 123.973 0.797 . . . . 0.0 114.38 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.71 151.25 65.63 Favored Pre-proline 0 N--CA 1.476 0.873 0 C-N-CA 126.16 1.784 . . . . 0.0 109.112 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.13 -22.86 25.41 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.567 2.845 . . . . 0.0 113.145 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.6 p -162.07 160.84 27.92 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.395 1.478 . . . . 0.0 112.042 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.61 153.26 31.1 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.595 0.758 . . . . 0.0 110.598 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -84.9 128.11 34.47 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.104 0.962 . . . . 0.0 111.765 170.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.19 -24.99 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.213 1.405 . . . . 0.0 112.607 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -69.27 -22.43 63.82 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.234 1.014 . . . . 0.0 113.116 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -80.61 64.11 5.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 124.251 1.976 . . . . 0.0 112.635 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -56.98 -45.42 82.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 112.128 -2.305 . . . . 0.0 111.372 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -54.38 -43.53 71.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.803 1.641 . . . . 0.0 113.516 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -70.39 -44.35 68.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.954 0.901 . . . . 0.0 110.849 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.55 -44.96 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.819 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -57.49 -45.61 84.68 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.268 1.5 t -67.13 -37.35 83.68 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 174.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.5 mtm -65.28 -42.93 92.66 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.172 -0.955 . . . . 0.0 112.319 172.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.55 -38.79 90.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.882 0.873 . . . . 0.0 112.165 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.5 -31.77 73.03 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.276 0.63 . . . . 0.0 112.531 173.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.7 t -69.57 -35.08 75.05 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.428 -0.795 . . . . 0.0 112.417 171.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 59.7 mtt -64.32 -28.4 69.68 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.6 -1.312 . . . . 0.0 114.272 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.296 2.9 p . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 21.5 t80 . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -65.26 -31.79 73.12 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -173.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.9 -35.38 74.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.39 0.676 . . . . 0.0 112.461 175.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -74.42 -42.88 58.43 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -65.7 -30.97 71.73 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.137 0.975 . . . . 0.0 112.21 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.78 -31.34 70.7 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.978 -1.076 . . . . 0.0 112.879 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -65.03 -26.85 68.44 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.506 1.123 . . . . 0.0 113.109 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.6 -52.16 48.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.454 0.702 . . . . 0.0 111.879 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.0 ptp -69.77 -25.07 63.63 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.54 0.609 . . . . 0.0 112.004 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 CA--C 1.549 0.94 0 C-N-CA 125.702 1.601 . . . . 0.0 113.958 169.027 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -128.8 162.7 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 128.491 2.716 . . . . 0.0 112.466 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.7 mtm105 -109.05 89.04 6.19 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 124.579 1.152 . . . . 0.0 111.986 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -66.79 150.52 83.35 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.191 1.928 . . . . 0.0 112.632 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -65.04 153.72 88.33 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.318 1.047 . . . . 0.0 112.49 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -55.92 -34.09 90.81 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.157 2.571 . . . . 0.0 114.859 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 tp -65.91 -37.59 86.48 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.805 0.842 . . . . 0.0 112.501 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.6 tp -72.46 -45.48 59.33 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.193 0.997 . . . . 0.0 110.661 172.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.5 tp -53.13 -43.21 66.77 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.333 0.653 . . . . 0.0 111.961 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -61.4 -40.14 93.28 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.666 0.787 . . . . 0.0 112.874 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 tt -64.88 -40.3 94.89 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.146 0.978 . . . . 0.0 111.812 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.4 mt -66.75 -43.24 84.63 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.854 0.861 . . . . 0.0 110.891 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -64.6 -22.01 66.86 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 173.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -64.65 -18.53 65.02 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.084 0.856 . . . . 0.0 113.138 171.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.8 m -113.19 16.86 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 126.037 1.735 . . . . 0.0 113.065 168.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.16 31.3 43.06 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.668 1.128 . . . . 0.0 115.61 170.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.36 76.87 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 118.924 1.362 . . . . 0.0 113.507 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 57.47 -21.8 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 169.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -66.78 159.62 27.61 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 121.193 1.815 . . . . 0.0 112.258 175.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -91.01 -6.08 54.47 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 169.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.23 148.35 28.79 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.629 1.972 . . . . 0.0 106.657 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -148.47 154.54 39.99 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -174.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -74.5 156.97 36.32 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.37 -0.831 . . . . 0.0 112.733 165.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mmt -57.23 -36.31 70.75 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.526 -1.359 . . . . 0.0 113.167 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -67.09 -39.47 86.79 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.513 172.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.39 -46.64 89.32 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.799 1.181 . . . . 0.0 112.903 172.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -60.05 -49.92 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.316 0.507 . . . . 0.0 110.356 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.18 -44.8 92.18 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.61 0.641 . . . . 0.0 112.147 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -55.52 -54.06 48.64 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -66.02 -38.3 88.06 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.53 -41.27 98.49 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.25 -0.906 . . . . 0.0 111.631 172.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.72 99.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 121.572 -0.705 . . . . 0.0 112.271 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -61.34 -35.65 78.0 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.319 1.06 . . . . 0.0 113.256 170.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -68.27 -49.14 62.55 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.808 0.731 . . . . 0.0 111.006 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.13 -40.94 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 111.287 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.1 ttm -62.24 -52.49 63.52 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.013 1.325 . . . . 0.0 112.253 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -69.42 -38.61 77.97 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -72.7 -14.84 61.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.254 1.422 . . . . 0.0 113.493 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 56.63 42.94 26.34 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.04 2.136 . . . . 0.0 113.033 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.3 mt -77.42 -9.19 58.72 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.699 1.2 . . . . 0.0 114.006 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -63.15 148.6 47.53 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 172.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.55 132.51 50.07 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 171.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -64.69 -27.78 69.15 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -80.79 -47.19 14.24 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.982 0.913 . . . . 0.0 110.905 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -130.44 100.32 5.31 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.97 1.308 . . . . 0.0 112.362 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.85 -13.89 62.51 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -176.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -75.18 -2.7 29.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.103 0.961 . . . . 0.0 113.481 171.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.6 mt -113.32 134.29 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.727 1.611 . . . . 0.0 109.796 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -109.95 133.64 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.741 1.616 . . . . 0.0 112.541 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.289 52.2 m-85 -106.81 69.7 0.78 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.83 2.052 . . . . 0.0 115.645 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.5 p -69.94 -3.35 15.63 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.0 t -46.97 131.59 12.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.926 1.69 . . . . 0.0 114.252 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 59.8 -0.02 0.23 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -86.37 170.5 11.96 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.114 1.366 . . . . 0.0 111.475 172.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.7 tp -51.42 -44.49 62.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.402 1.081 . . . . 0.0 111.282 169.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.02 -32.99 73.53 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.14 -31.16 75.81 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 123.808 0.718 . . . . 0.0 113.45 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -73.37 -29.13 62.43 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 171.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.82 -55.96 5.56 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.855 0.862 . . . . 0.0 112.206 171.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.304 26.4 m-85 -68.79 -26.55 65.25 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 117.591 2.441 . . . . 0.0 117.591 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.73 18.55 78.81 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.181 0.896 . . . . 0.0 114.693 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 m -141.53 155.27 67.14 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 125.896 1.678 . . . . 0.0 109.78 -176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.83 -28.29 16.86 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.063 2.509 . . . . 0.0 113.207 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.5 p -163.11 161.86 25.4 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.767 1.227 . . . . 0.0 112.558 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -156.43 160.0 39.2 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.509 1.124 . . . . 0.0 109.388 173.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -95.24 131.11 41.65 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.813 0.845 . . . . 0.0 111.171 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.61 -23.47 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.404 1.081 . . . . 0.0 112.603 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -63.94 -21.81 66.64 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.407 1.483 . . . . 0.0 113.753 172.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -78.38 49.35 0.84 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.109 1.764 . . . . 0.0 111.762 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -52.31 -45.09 65.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.545 1.138 . . . . 0.0 113.347 -169.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.5 ttp-105 -59.88 -42.1 93.02 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.106 0.963 . . . . 0.0 112.818 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -68.55 -44.53 74.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.87 0.868 . . . . 0.0 110.944 174.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.53 -45.12 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.733 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -58.21 -43.53 87.71 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.301 1.0 OUTLIER -68.46 -34.24 75.6 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 173.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.9 mtm -68.44 -37.28 80.11 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.111 -0.993 . . . . 0.0 112.687 170.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 98.2 mmm -66.89 -39.78 87.57 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.412 1.085 . . . . 0.0 111.772 173.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.02 -34.91 75.58 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.645 -0.659 . . . . 0.0 111.909 171.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.9 m -68.95 -0.29 5.42 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 171.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 35.4 mtt -102.66 -2.68 27.86 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.981 1.312 . . . . 0.0 113.399 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.253 1.1 p . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -66.26 -25.41 66.86 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -64.75 -42.75 94.94 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.209 -0.932 . . . . 0.0 111.208 172.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -66.77 -33.61 76.0 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -75.35 -37.77 60.49 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.985 -0.447 . . . . 0.0 111.502 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 28.2 tp -60.63 -31.29 70.49 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.615 -1.303 . . . . 0.0 112.284 174.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -66.05 -25.16 66.91 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.245 1.418 . . . . 0.0 113.952 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.5 mt -63.22 -55.77 22.2 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.678 0.672 . . . . 0.0 110.869 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.46 -29.34 64.74 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 . . . . . 0 CA--C 1.545 0.752 0 C-N-CA 124.02 0.928 . . . . 0.0 112.063 173.842 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.542 0.648 0 CA-C-O 120.865 0.364 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.92 -24.08 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -173.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 47.29 72.36 1.29 Allowed Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 127.242 2.217 . . . . 0.0 112.506 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.94 167.12 26.89 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.068 2.512 . . . . 0.0 113.301 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -55.26 148.23 32.35 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.119 0.967 . . . . 0.0 112.246 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -60.45 -30.51 90.98 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.857 2.372 . . . . 0.0 112.745 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.71 -40.94 94.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.49 1.116 . . . . 0.0 112.438 174.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -75.71 -44.93 39.56 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.43 0.692 . . . . 0.0 111.526 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.5 tp -55.67 -39.55 71.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.597 0.759 . . . . 0.0 112.154 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.1 -39.86 83.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.118 0.967 . . . . 0.0 112.91 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.26 -45.6 92.58 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.624 0.77 . . . . 0.0 111.159 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.09 -43.86 91.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.707 0.685 . . . . 0.0 111.032 174.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -65.92 -26.53 67.64 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -65.23 -25.9 67.89 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.307 0.958 . . . . 0.0 112.307 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 m -101.15 16.58 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.429 1.492 . . . . 0.0 112.94 169.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.82 30.64 25.87 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 116.591 1.396 . . . . 0.0 116.591 168.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.23 126.2 28.98 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 119.557 1.679 . . . . 0.0 110.645 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -81.29 -39.95 24.44 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -168.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -78.63 172.82 13.14 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.606 1.962 . . . . 0.0 113.179 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -103.64 -2.56 26.41 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -143.56 146.67 33.5 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.924 1.69 . . . . 0.0 107.286 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -144.39 154.77 43.33 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.455 1.502 . . . . 0.0 114.228 -171.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.34 166.19 23.79 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 168.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mmt -54.66 -46.11 73.96 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.312 -0.867 . . . . 0.0 112.666 172.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.59 -39.41 88.4 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.926 0.891 . . . . 0.0 112.031 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.05 -43.83 91.03 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.61 -48.57 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.544 0.738 . . . . 0.0 109.443 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.8 -44.95 86.67 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.741 0.701 . . . . 0.0 111.248 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.26 31.1 t80 -53.57 -60.55 3.16 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 173.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -60.23 -41.51 93.27 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.91 -45.77 90.94 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.417 1.087 . . . . 0.0 111.526 176.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.19 -42.5 96.36 Favored Glycine 0 CA--C 1.527 0.798 0 O-C-N 121.742 -0.599 . . . . 0.0 113.393 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -61.58 -35.32 77.48 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.364 1.082 . . . . 0.0 112.061 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -62.82 -53.28 56.71 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 169.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.8 mt -59.74 -39.7 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.904 0.882 . . . . 0.0 111.142 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.3 ttm -62.48 -56.01 22.19 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.723 1.209 . . . . 0.0 111.632 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . 0.256 1.3 t -67.77 -36.67 80.92 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -72.96 -9.21 58.48 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.678 1.191 . . . . 0.0 113.669 170.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 56.08 42.8 27.94 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.518 1.927 . . . . 0.0 113.051 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.85 -7.8 57.17 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.936 1.294 . . . . 0.0 113.953 -173.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -69.9 152.42 44.52 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 172.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -62.01 133.63 55.59 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.332 -0.855 . . . . 0.0 113.09 169.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -57.84 -30.68 65.97 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.048 0.939 . . . . 0.0 112.417 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -88.29 -61.9 1.61 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.357 1.463 . . . . 0.0 110.447 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.413 ' C ' ' H ' ' A' ' 79' ' ' HIS . 14.4 mt-30 -87.42 79.47 8.41 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.969 1.308 . . . . 0.0 110.367 175.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -73.91 34.12 0.09 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.384 1.474 . . . . 0.0 113.44 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.413 ' H ' ' C ' ' A' ' 77' ' ' GLN . 44.2 p-80 -143.27 5.69 1.47 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 128.066 2.546 . . . . 0.0 112.116 175.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.0 mt -121.04 127.8 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.221 1.408 . . . . 0.0 109.441 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -96.69 139.08 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.243 1.817 . . . . 0.0 112.998 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -128.9 125.56 37.85 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.154 1.782 . . . . 0.0 113.453 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -159.21 101.68 1.58 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.218 1.007 . . . . 0.0 110.426 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.6 p -105.24 142.22 35.4 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.912 1.285 . . . . 0.0 111.677 171.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.47 9.53 0.79 Allowed 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.26 31.7 m-20 -120.75 170.23 9.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.229 2.212 . . . . 0.0 115.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.2 tp -52.66 -41.32 63.71 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -168.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.8 tp -68.83 -38.12 79.62 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.417 1.008 . . . . 0.0 112.601 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.24 -37.77 86.92 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 123.629 0.633 . . . . 0.0 112.491 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.06 -32.31 73.81 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 172.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.7 mt -71.35 -62.12 1.52 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.991 1.316 . . . . 0.0 112.077 171.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.284 55.7 m-85 -68.81 -19.04 64.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.89 16.7 80.49 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.41 1.005 . . . . 0.0 114.395 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.18 151.58 55.73 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 125.984 1.714 . . . . 0.0 109.567 -177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.53 -21.41 25.9 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.651 2.901 . . . . 0.0 113.212 175.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -161.02 158.15 27.42 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.246 1.418 . . . . 0.0 112.177 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -156.32 155.5 32.37 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.102 0.961 . . . . 0.0 109.696 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.1 t -97.48 133.64 41.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.846 0.858 . . . . 0.0 112.921 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . 0.26 1.3 t -77.07 -2.4 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.325 1.45 . . . . 0.0 114.439 170.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.43 -31.97 73.35 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.604 1.161 . . . . 0.0 112.405 170.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -111.39 81.35 1.43 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.879 1.272 . . . . 0.0 111.934 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -53.35 -37.12 62.06 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.268 1.027 . . . . 0.0 113.003 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -56.6 -39.24 73.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.679 1.591 . . . . 0.0 113.25 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -67.95 -44.49 76.64 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.911 0.885 . . . . 0.0 111.565 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.77 -46.6 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 118.46 -0.781 . . . . 0.0 111.127 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -57.64 -44.77 85.85 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.661 1.119 . . . . 0.0 112.909 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.275 1.1 t -66.22 -40.1 90.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 177.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 76.0 mtm -68.08 -40.18 82.75 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.581 -0.699 . . . . 0.0 112.508 173.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -76.64 -28.58 56.1 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.76 0.824 . . . . 0.0 111.862 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.0 -29.14 70.04 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.225 -0.922 . . . . 0.0 112.815 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.7 t -62.22 -24.92 67.51 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.21 -0.931 . . . . 0.0 112.32 173.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 36.9 mtt -79.17 -1.12 34.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.944 1.298 . . . . 0.0 113.446 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.345 0.9 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -176.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -65.32 -32.02 73.45 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.464 0.705 . . . . 0.0 112.864 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.51 -40.49 87.28 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.422 1.01 . . . . 0.0 112.952 171.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -66.54 -41.94 87.93 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 168.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -70.58 -32.14 69.42 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.729 0.812 . . . . 0.0 112.094 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 21.3 tp -65.31 -31.58 72.79 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.715 -1.241 . . . . 0.0 112.476 176.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -63.3 -31.04 72.09 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.186 0.994 . . . . 0.0 112.313 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.98 -58.45 8.61 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.231 0.612 . . . . 0.0 111.163 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.7 ptp -70.53 -29.36 65.81 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 . . . . . 0 CA--C 1.542 0.65 0 C-N-CA 123.966 0.906 . . . . 0.0 112.593 178.268 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 121.852 0.834 . . . . 0.0 113.058 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -126.11 161.69 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 127.999 2.52 . . . . 0.0 111.385 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -104.64 92.99 5.49 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 123.766 0.826 . . . . 0.0 110.689 171.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -65.41 155.88 66.34 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.215 1.943 . . . . 0.0 112.011 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -54.88 150.56 18.56 Favored Pre-proline 0 N--CA 1.478 0.93 0 C-N-CA 123.996 0.918 . . . . 0.0 112.047 171.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -59.5 -32.54 96.44 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.606 2.204 . . . . 0.0 112.832 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.2 tp -62.24 -40.64 96.83 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.492 1.117 . . . . 0.0 112.417 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.2 tp -73.97 -45.83 47.65 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.905 0.882 . . . . 0.0 111.435 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.92 -39.66 71.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.214 1.006 . . . . 0.0 112.087 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -60.34 -37.9 82.11 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.996 0.918 . . . . 0.0 112.931 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.85 -45.59 93.13 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 0.0 111.108 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.28 -41.42 96.91 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.544 0.611 . . . . 0.0 111.266 175.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -65.78 -27.05 68.0 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 p -65.13 -25.04 67.59 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.357 0.98 . . . . 0.0 112.48 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.8 m -102.24 14.83 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.728 1.611 . . . . 0.0 113.039 169.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.54 28.15 25.26 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 116.865 1.506 . . . . 0.0 116.865 168.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.67 121.79 19.46 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 119.758 1.779 . . . . 0.0 110.233 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -79.63 -37.84 35.13 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 -167.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -91.12 -177.04 4.79 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.579 1.952 . . . . 0.0 113.87 -174.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.8 p30 -115.8 2.2 13.57 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.686 1.994 . . . . 0.0 115.444 -174.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.46 141.18 24.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 -174.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -147.82 151.64 36.32 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -73.59 158.41 34.86 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.614 1.097 . . . . 0.0 113.208 167.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.3 mmt -56.47 -38.24 71.43 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.83 -1.169 . . . . 0.0 113.065 173.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -66.48 -38.99 88.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.328 0.651 . . . . 0.0 112.592 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.22 -45.48 88.07 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.333 0.97 . . . . 0.0 112.739 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.29 -48.35 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.422 0.689 . . . . 0.0 110.592 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.67 -45.8 88.6 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.421 0.688 . . . . 0.0 111.553 174.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -52.37 -56.6 13.84 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -60.22 -40.08 88.92 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.05 -43.59 87.04 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.014 0.925 . . . . 0.0 112.343 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.23 98.93 Favored Glycine 0 CA--C 1.532 1.121 0 O-C-N 121.222 -0.924 . . . . 0.0 112.634 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -62.77 -34.79 77.97 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.955 -0.733 . . . . 0.0 112.461 172.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.46 -50.17 70.77 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 172.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.7 mt -58.81 -40.53 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.432 1.093 . . . . 0.0 111.337 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.5 mtm -64.57 -51.89 60.47 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -65.65 -34.83 79.13 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -77.53 -15.34 59.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.842 1.657 . . . . 0.0 114.507 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 54.64 43.85 29.53 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 126.225 1.81 . . . . 0.0 113.726 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.0 mt -74.87 -13.69 60.58 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.293 2.0 p90 -66.56 153.13 43.81 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.18 130.0 43.39 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.155 0.582 . . . . 0.0 112.518 168.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -59.16 -30.52 68.23 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.144 -0.973 . . . . 0.0 112.682 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -85.99 -45.9 11.03 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.971 1.309 . . . . 0.0 111.54 -175.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -120.96 89.5 3.14 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.472 1.509 . . . . 0.0 111.006 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -69.84 -9.93 56.58 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -172.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -78.71 -5.11 52.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.184 0.994 . . . . 0.0 113.399 169.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.7 mt -107.03 130.02 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.771 1.628 . . . . 0.0 110.224 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.1 t -102.03 128.92 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.068 1.747 . . . . 0.0 112.561 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.277 56.4 m-85 -104.88 68.74 0.84 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.739 2.016 . . . . 0.0 114.731 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.0 p -71.93 2.1 6.13 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -174.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 81.9 p -53.32 145.92 13.19 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.994 1.318 . . . . 0.0 113.815 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 58.47 16.01 3.91 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.197 1.799 . . . . 0.0 115.568 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -120.49 165.0 15.57 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.549 1.539 . . . . 0.0 112.861 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.1 tp -48.95 -38.11 22.06 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.226 1.41 . . . . 0.0 112.361 169.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.9 tp -70.56 -34.29 72.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.5 -37.46 94.47 Favored Glycine 0 CA--C 1.533 1.197 0 O-C-N 121.435 -0.791 . . . . 0.0 112.34 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.94 -29.99 70.49 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.39 -59.11 2.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.88 1.272 . . . . 0.0 112.114 171.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.263 27.0 m-85 -68.04 -23.89 65.03 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 117.754 2.502 . . . . 0.0 117.754 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.72 19.19 79.71 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 123.997 0.808 . . . . 0.0 114.54 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.6 m -139.79 155.22 71.36 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 126.187 1.795 . . . . 0.0 109.522 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.35 -25.92 17.87 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.283 2.655 . . . . 0.0 113.276 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.6 p -161.82 160.2 27.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.641 1.176 . . . . 0.0 113.0 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -158.06 162.88 38.12 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.46 1.504 . . . . 0.0 107.427 173.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.0 t -104.89 134.8 47.4 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.139 -0.976 . . . . 0.0 111.877 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.6 t -60.03 -26.01 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.736 0.814 . . . . 0.0 112.767 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -64.15 -20.43 65.99 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.424 1.89 . . . . 0.0 113.333 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -78.8 50.21 0.98 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.093 1.757 . . . . 0.0 112.066 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -51.92 -46.36 64.62 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.762 1.225 . . . . 0.0 114.24 -169.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -39.79 93.97 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.64 1.176 . . . . 0.0 112.933 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -67.59 -45.7 74.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.532 1.533 . . . . 0.0 111.376 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.26 -44.58 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 118.946 -0.549 . . . . 0.0 111.107 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -56.17 -47.89 77.39 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.279 1.2 t -67.05 -36.23 81.59 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 61.1 mtm -66.33 -42.69 87.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.46 -0.775 . . . . 0.0 112.353 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.2 mmm -63.48 -39.65 95.01 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.925 0.89 . . . . 0.0 111.992 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.78 80.79 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.447 0.699 . . . . 0.0 112.772 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.0 p -65.78 -18.78 65.57 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 39.2 mtt -85.99 -4.45 59.17 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.544 1.138 . . . . 0.0 113.703 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.324 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 116.728 2.122 . . . . 0.0 116.728 -177.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 25.5 t80 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 116.118 1.895 . . . . 0.0 116.118 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -68.94 -26.71 65.2 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -61.92 -49.06 77.68 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.198 0.908 . . . . 0.0 111.466 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -59.53 -41.11 89.28 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 169.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -67.03 -39.34 86.99 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.015 0.526 . . . . 0.0 111.13 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.5 -29.19 66.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.816 -1.178 . . . . 0.0 112.861 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 31.3 mmt-85 -68.74 -26.12 65.09 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.875 0.761 . . . . 0.0 113.026 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.66 -47.67 65.94 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.629 0.65 . . . . 0.0 110.219 168.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.9 mtm -74.82 -27.58 60.35 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.372 0.669 . . . . 0.0 112.481 -170.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 . . . . . 0 CA--C 1.545 0.783 0 C-N-CA 124.612 1.165 . . . . 0.0 112.216 169.834 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.87 -20.99 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -171.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 48.73 82.21 0.24 Allowed Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 127.768 2.427 . . . . 0.0 113.125 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -65.56 161.04 40.2 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.435 2.09 . . . . 0.0 112.693 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -56.84 148.62 47.48 Favored Pre-proline 0 N--CA 1.479 0.994 0 C-N-CA 123.899 0.879 . . . . 0.0 112.289 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -55.88 -34.22 90.94 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.15 2.567 . . . . 0.0 114.477 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.32 -39.71 94.45 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.802 0.841 . . . . 0.0 112.351 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.0 tp -72.27 -44.25 63.07 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.619 0.767 . . . . 0.0 111.12 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.3 tp -53.91 -42.05 68.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.225 0.61 . . . . 0.0 111.549 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -62.3 -34.59 76.87 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.47 -38.3 89.28 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.681 -0.637 . . . . 0.0 111.023 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.64 -40.99 88.95 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.58 -0.7 . . . . 0.0 111.516 169.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -59.34 -32.35 70.01 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.435 -1.415 . . . . 0.0 112.887 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.1 m -64.87 -15.16 61.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.656 1.183 . . . . 0.0 113.638 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -117.87 21.92 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.258 1.823 . . . . 0.0 112.496 170.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.2 22.82 58.33 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 116.673 1.429 . . . . 0.0 116.673 169.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.68 120.53 10.8 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.03 1.415 . . . . 0.0 112.375 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -80.67 -47.4 14.1 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -169.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -72.2 171.99 11.04 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.844 1.658 . . . . 0.0 112.684 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -111.38 3.87 18.54 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.549 1.94 . . . . 0.0 115.591 169.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -143.19 141.88 31.27 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.748 2.019 . . . . 0.0 106.772 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -148.72 159.3 44.26 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -169.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -78.54 162.03 26.61 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 165.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.2 mmm -54.18 -42.04 69.22 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.742 -1.224 . . . . 0.0 112.747 172.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -68.26 -37.34 80.65 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.422 0.689 . . . . 0.0 112.441 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -65.48 -43.13 91.2 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.878 0.763 . . . . 0.0 113.015 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.16 -49.02 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.066 0.546 . . . . 0.0 110.577 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.49 -42.55 82.93 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.693 174.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -53.56 -57.95 8.91 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -59.63 -40.8 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.54 -44.01 95.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.347 1.059 . . . . 0.0 111.845 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.79 98.49 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.752 0.691 . . . . 0.0 112.67 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -63.33 -30.74 71.82 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.039 0.92 . . . . 0.0 112.76 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -69.33 -48.79 60.42 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.412 -0.805 . . . . 0.0 112.79 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.86 -42.26 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.841 1.256 . . . . 0.0 110.85 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 50.2 ttm -63.3 -56.32 17.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.368 1.467 . . . . 0.0 112.274 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -64.55 -34.12 77.5 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.17 1.545 . . . . 0.0 115.17 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -78.77 -10.48 59.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.689 1.595 . . . . 0.0 113.89 172.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 51.93 45.31 28.47 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 127.635 2.374 . . . . 0.0 113.558 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.2 mt -77.53 -7.63 56.57 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -63.76 146.5 53.78 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 170.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.88 134.02 52.16 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.63 -27.68 67.88 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -79.21 -46.72 17.31 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.647 0.779 . . . . 0.0 110.812 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -131.82 102.34 5.82 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.954 1.302 . . . . 0.0 112.58 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -66.83 -13.9 62.08 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -74.46 -0.14 16.5 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 170.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.0 mt -120.04 140.49 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.178 1.791 . . . . 0.0 109.66 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.4 t -119.56 139.78 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.088 1.755 . . . . 0.0 110.39 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -124.45 128.3 48.8 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.936 2.094 . . . . 0.0 114.267 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.1 t -160.38 108.92 1.67 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.083 0.953 . . . . 0.0 109.832 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 76.8 p -118.56 147.06 44.09 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.532 1.533 . . . . 0.0 111.95 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.267 0.8 OUTLIER 48.4 32.38 3.25 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 127.062 2.145 . . . . 0.0 115.72 -178.238 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -144.37 167.8 21.6 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.618 1.567 . . . . 0.0 109.65 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.4 tp -49.22 -51.91 30.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.101 1.76 . . . . 0.0 115.201 -167.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.78 -35.82 81.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.311 0.96 . . . . 0.0 113.134 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.77 -34.57 83.35 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.955 0.788 . . . . 0.0 112.779 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.13 -34.02 76.69 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 172.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.94 -57.86 5.51 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.663 0.785 . . . . 0.0 111.556 169.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.302 42.7 m-85 -67.44 -23.37 65.51 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 118.081 2.623 . . . . 0.0 118.081 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.13 16.74 76.94 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.063 0.839 . . . . 0.0 114.409 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.79 151.68 63.63 Favored Pre-proline 0 N--CA 1.475 0.803 0 C-N-CA 126.115 1.766 . . . . 0.0 109.413 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -71.13 -21.85 26.71 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.642 2.895 . . . . 0.0 113.235 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -162.4 160.38 26.38 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.282 1.433 . . . . 0.0 112.34 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -154.55 158.16 39.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.885 0.874 . . . . 0.0 110.723 172.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.0 t -91.94 125.18 36.54 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.03 0.932 . . . . 0.0 111.625 171.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.29 -30.24 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.352 1.461 . . . . 0.0 112.632 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.31 -25.71 67.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.624 1.97 . . . . 0.0 113.305 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.65 62.1 3.83 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.15 1.38 . . . . 0.0 111.534 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -55.47 -43.98 76.01 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -169.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -60.9 -39.58 89.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.818 0.847 . . . . 0.0 113.132 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -67.49 -40.1 85.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.26 1.024 . . . . 0.0 111.405 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.23 -46.04 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.143 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -56.77 -43.45 80.85 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.278 1.2 t -66.95 -36.9 83.26 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.13 -39.64 90.02 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.247 -0.908 . . . . 0.0 112.456 171.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.3 mmm -67.34 -41.36 85.31 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.03 0.932 . . . . 0.0 111.915 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.19 -34.13 74.57 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.334 0.654 . . . . 0.0 111.904 173.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.7 m -67.79 -9.33 43.29 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.4 mtt -102.18 4.18 39.16 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.644 1.578 . . . . 0.0 113.74 172.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.363 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 21.4 t80 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -65.65 -32.54 74.17 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.32 -26.19 68.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.879 0.872 . . . . 0.0 112.474 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -83.54 -43.55 15.61 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 166.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -64.41 -32.99 74.84 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.258 1.023 . . . . 0.0 112.394 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 24.8 tp -56.86 -31.32 64.69 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.312 1.045 . . . . 0.0 112.691 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -72.63 -19.16 61.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.316 1.046 . . . . 0.0 112.186 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.54 -50.36 38.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.684 0.793 . . . . 0.0 111.766 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.7 ptp -70.9 -30.03 66.26 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.804 -0.56 . . . . 0.0 111.537 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 CA--C 1.549 0.942 0 C-N-CA 125.695 1.598 . . . . 0.0 112.79 169.218 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 121.423 0.63 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 m -132.95 163.66 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.57 2.348 . . . . 0.0 112.831 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -100.57 92.04 2.08 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 124.537 1.135 . . . . 0.0 111.085 169.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.98 153.35 76.41 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 121.87 1.713 . . . . 0.0 112.293 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -59.03 151.56 55.51 Favored Pre-proline 0 N--CA 1.476 0.872 0 C-N-CA 124.285 1.034 . . . . 0.0 112.231 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.73 -35.26 93.01 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.029 2.486 . . . . 0.0 113.96 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.33 -38.77 90.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.431 1.092 . . . . 0.0 112.277 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.5 tp -74.93 -44.54 47.99 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.397 0.679 . . . . 0.0 111.402 174.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.6 tp -55.01 -38.87 68.44 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.805 0.842 . . . . 0.0 111.87 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -59.06 -40.57 85.56 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.995 0.918 . . . . 0.0 113.134 170.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -66.07 -45.19 82.19 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.066 0.947 . . . . 0.0 111.99 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.93 -43.14 91.11 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.393 0.677 . . . . 0.0 110.51 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -72.24 -24.34 61.36 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.776 1.23 . . . . 0.0 114.199 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.9 m -64.63 -23.3 67.22 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.706 0.803 . . . . 0.0 112.606 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 m -105.09 14.41 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.809 1.644 . . . . 0.0 113.418 168.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.61 28.13 36.63 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.169 1.366 . . . . 0.0 116.148 168.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 132.53 44.48 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.181 1.49 . . . . 0.0 111.202 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -88.27 -32.58 18.42 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -84.8 171.63 12.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.621 1.568 . . . . 0.0 114.377 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -108.47 4.83 24.67 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.499 1.919 . . . . 0.0 113.824 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.98 142.34 28.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.072 2.149 . . . . 0.0 106.378 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -144.03 152.56 41.17 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.25 1.0 OUTLIER -77.01 158.79 30.37 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 166.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.9 mmm -60.74 -34.11 73.94 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.883 -1.136 . . . . 0.0 112.493 174.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -67.99 -41.95 81.51 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.851 0.861 . . . . 0.0 111.917 172.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.88 -41.99 99.61 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.862 0.755 . . . . 0.0 112.778 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.94 -49.98 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.294 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.28 -45.21 88.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.394 0.997 . . . . 0.0 111.347 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -54.39 -56.89 14.09 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -64.76 -36.86 85.68 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 175.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.79 -42.91 97.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.238 1.015 . . . . 0.0 111.368 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.07 -43.31 98.96 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 123.752 0.691 . . . . 0.0 112.905 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.35 -33.86 73.02 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.7 1.25 . . . . 0.0 113.177 173.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -67.86 -49.49 61.81 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 173.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.56 -40.57 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.202 1.001 . . . . 0.0 111.08 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 31.8 ttm -61.81 -57.9 10.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.93 1.692 . . . . 0.0 111.986 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -63.41 -32.0 73.31 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -80.18 -15.7 56.48 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.834 1.654 . . . . 0.0 114.336 173.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 51.55 48.88 22.05 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.872 2.069 . . . . 0.0 113.484 -174.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.2 mt -75.44 -7.71 54.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -65.87 150.16 49.04 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.13 149.46 49.58 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -72.18 -38.76 69.03 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.844 -1.16 . . . . 0.0 112.62 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -87.56 -31.61 19.8 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.396 1.478 . . . . 0.0 114.466 -172.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -130.53 89.53 2.79 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.127 1.371 . . . . 0.0 108.89 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -70.61 -4.98 25.97 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -168.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -84.21 -8.41 59.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.844 1.258 . . . . 0.0 113.159 168.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.3 mt -96.53 138.94 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 120.138 1.335 . . . . 0.0 109.748 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 t -121.81 134.17 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.27 1.828 . . . . 0.0 112.453 -176.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -125.41 124.05 40.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.84 2.056 . . . . 0.0 114.3 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.0 t -156.67 48.69 0.46 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.652 0.739 . . . . 0.0 111.907 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.4 p -59.88 136.32 57.97 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.96 -1.088 . . . . 0.0 112.333 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 56.6 21.79 6.08 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.231 1.813 . . . . 0.0 115.835 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -132.96 167.66 19.87 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.975 1.31 . . . . 0.0 112.114 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.0 tp -47.62 -40.79 20.44 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -166.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.61 -40.83 84.68 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.807 1.185 . . . . 0.0 112.297 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.84 -33.86 66.08 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.391 0.52 . . . . 0.0 112.428 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.07 -34.37 77.89 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.9 mt -70.46 -57.42 4.81 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.725 1.21 . . . . 0.0 112.149 170.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.28 46.1 m-85 -68.21 -19.69 64.78 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 -178.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.9 16.87 80.37 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.404 1.002 . . . . 0.0 114.249 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 m -143.57 151.22 53.42 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.967 1.707 . . . . 0.0 109.485 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.1 -25.15 22.86 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.396 2.731 . . . . 0.0 113.189 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.4 p -158.17 159.78 36.51 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.207 1.403 . . . . 0.0 112.601 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -157.79 171.18 20.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.194 1.397 . . . . 0.0 107.749 174.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.6 t -118.04 132.16 56.39 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.365 -0.834 . . . . 0.0 112.257 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.9 t -58.13 -22.43 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.541 1.536 . . . . 0.0 113.339 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -60.89 -22.75 64.62 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.251 1.421 . . . . 0.0 113.026 171.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -84.37 -1.13 54.99 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -170.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 35.08 -85.66 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.432 2.693 . . . . 0.0 116.249 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.2 mtm-85 -47.37 -41.72 20.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.031 1.732 . . . . 0.0 114.183 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -64.28 -41.1 97.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.312 0.645 . . . . 0.0 111.014 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.02 -46.14 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.516 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -60.79 -43.31 98.26 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.805 1.184 . . . . 0.0 110.942 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.287 1.0 OUTLIER -68.41 -37.25 80.15 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 177.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.8 mtm -67.91 -45.13 75.28 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.409 -0.807 . . . . 0.0 112.105 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -72.09 -20.86 61.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.933 0.893 . . . . 0.0 112.246 -173.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.26 69.03 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.564 -0.71 . . . . 0.0 112.889 170.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.2 p -67.81 -15.93 63.86 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.932 -1.105 . . . . 0.0 113.181 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 47.1 mtt -80.06 -8.62 59.48 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.785 -1.197 . . . . 0.0 112.869 176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -179.548 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 15.0 t80 . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -65.85 -26.29 67.59 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -65.12 -41.62 94.69 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.507 1.049 . . . . 0.0 111.119 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -63.81 -43.1 97.28 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 170.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -69.14 -42.18 76.34 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.354 0.662 . . . . 0.0 111.557 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.14 -34.19 68.16 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.848 1.259 . . . . 0.0 112.79 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.46 -37.84 82.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.83 1.252 . . . . 0.0 111.762 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.49 -46.27 86.91 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.942 1.297 . . . . 0.0 111.572 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.7 mtm -74.45 -34.85 63.29 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.525 0.73 . . . . 0.0 111.485 -172.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 124.969 1.308 . . . . 0.0 113.572 171.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt . . . . . 0 CA--C 1.543 0.707 0 CA-C-O 120.824 0.345 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.64 -20.68 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -174.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 51.7 70.33 2.0 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 127.018 2.127 . . . . 0.0 113.219 -169.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -71.51 163.99 37.19 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.092 2.528 . . . . 0.0 113.926 -173.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 30.0 mtmt -58.15 150.07 53.92 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 124.625 1.17 . . . . 0.0 112.524 176.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -61.46 -31.29 87.86 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.674 2.249 . . . . 0.0 112.62 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.67 -40.53 95.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.663 1.185 . . . . 0.0 112.47 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.79 -48.31 54.9 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.879 0.872 . . . . 0.0 111.282 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.6 tp -53.89 -39.53 65.84 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.038 0.935 . . . . 0.0 112.135 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.89 -41.24 82.16 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.213 1.005 . . . . 0.0 112.99 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tt -65.09 -43.43 92.14 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.048 0.939 . . . . 0.0 111.707 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.62 -42.56 99.66 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.678 0.672 . . . . 0.0 111.291 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -73.84 -21.13 60.23 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.418 1.087 . . . . 0.0 113.832 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 m -65.0 -21.44 66.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.662 0.785 . . . . 0.0 112.445 168.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 m -108.04 19.35 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.689 1.596 . . . . 0.0 113.74 169.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.1 23.62 47.97 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 116.898 1.519 . . . . 0.0 116.898 168.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.55 133.91 56.26 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 119.106 1.453 . . . . 0.0 111.851 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -85.74 -52.21 5.93 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.236 -0.915 . . . . 0.0 113.379 -170.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.53 171.14 15.04 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.69 1.996 . . . . 0.0 112.849 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -99.43 -3.19 34.27 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -138.02 145.15 41.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.201 1.401 . . . . 0.0 108.415 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -147.39 161.58 40.73 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.926 1.69 . . . . 0.0 115.094 -172.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -83.87 166.03 18.25 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.269 1.428 . . . . 0.0 114.005 168.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.4 mmt -54.54 -43.13 71.68 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.497 1.044 . . . . 0.0 112.647 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -60.57 -48.33 82.23 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.644 1.178 . . . . 0.0 111.516 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.59 -40.02 84.82 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.59 -49.3 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.34 0.518 . . . . 0.0 110.042 174.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.28 -42.2 90.71 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.639 0.654 . . . . 0.0 110.993 176.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -53.99 -58.71 6.29 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -58.76 -39.43 80.97 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.1 tp -65.74 -44.54 85.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.48 1.112 . . . . 0.0 111.896 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.19 98.05 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 123.65 0.643 . . . . 0.0 112.772 174.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -63.36 -32.15 73.49 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.144 0.972 . . . . 0.0 112.513 172.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -65.81 -49.47 68.15 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 169.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.6 mt -60.39 -38.1 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.389 1.076 . . . . 0.0 111.272 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.0 ttm -62.86 -57.48 10.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.298 1.439 . . . . 0.0 111.958 173.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -67.38 -35.45 79.35 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -80.76 -10.24 59.74 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.836 1.254 . . . . 0.0 113.55 170.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 54.8 46.5 24.4 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.3 2.64 . . . . 0.0 113.045 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.1 mt -78.64 -6.29 55.29 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -74.43 151.76 39.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 174.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -67.03 129.8 41.07 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.693 -1.254 . . . . 0.0 112.322 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -61.35 -29.06 69.66 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.202 -0.936 . . . . 0.0 112.835 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -81.59 -68.08 0.72 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.603 1.161 . . . . 0.0 111.206 172.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -83.76 81.43 8.76 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.23 1.012 . . . . 0.0 110.951 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -58.6 -23.67 59.29 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.777 1.231 . . . . 0.0 112.848 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -84.2 5.93 24.58 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.678 1.591 . . . . 0.0 114.447 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.8 mt -126.12 130.98 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 120.075 1.307 . . . . 0.0 110.447 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 p -105.63 139.87 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.434 1.493 . . . . 0.0 111.501 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.322 70.7 m-85 -110.5 59.95 0.61 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.661 1.984 . . . . 0.0 116.136 -172.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.8 p -67.72 48.61 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.589 2.355 . . . . 0.0 115.688 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -85.47 124.21 31.8 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.562 -1.336 . . . . 0.0 111.92 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 54.8 26.37 7.62 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.134 1.774 . . . . 0.0 115.621 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -120.59 179.87 4.2 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.188 1.795 . . . . 0.0 113.574 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 63.9 tp -56.35 -40.82 75.12 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.524 -0.735 . . . . 0.0 111.872 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.1 tp -64.89 -37.33 87.27 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.46 -34.55 90.24 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.177 0.894 . . . . 0.0 113.09 170.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.41 -32.82 73.97 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 171.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.07 -57.82 4.16 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.807 0.843 . . . . 0.0 112.285 169.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.273 38.7 m-85 -75.67 -24.06 56.29 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 118.611 2.819 . . . . 0.0 118.611 -175.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.44 17.37 78.94 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 123.949 0.785 . . . . 0.0 114.887 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.45 152.15 68.38 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 125.825 1.65 . . . . 0.0 109.521 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.31 -18.77 17.81 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.908 3.072 . . . . 0.0 113.805 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.4 p -166.34 159.77 15.12 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.712 1.605 . . . . 0.0 111.556 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -155.65 152.64 28.91 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.598 0.713 . . . . 0.0 112.096 168.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 p -80.14 127.78 32.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.576 1.15 . . . . 0.0 112.052 169.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.3 t -72.26 -21.06 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.839 2.056 . . . . 0.0 112.561 -175.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.98 -34.54 71.94 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -84.74 94.44 8.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.654 0.782 . . . . 0.0 112.661 -172.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -50.98 -54.1 27.41 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.544 1.538 . . . . 0.0 113.103 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -56.97 -43.38 81.56 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.737 1.215 . . . . 0.0 112.66 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.57 -47.82 84.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.386 1.474 . . . . 0.0 111.86 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 68.9 mt -74.36 -40.05 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 122.875 0.47 . . . . 0.0 111.162 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.68 -41.12 97.13 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.295 1.2 t -69.45 -34.65 74.7 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 173.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.24 -27.94 64.85 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.055 -1.028 . . . . 0.0 113.319 169.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.7 mmt -65.29 -32.22 73.77 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.383 0.992 . . . . 0.0 113.063 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.77 -30.67 70.95 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.572 -0.705 . . . . 0.0 112.765 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.5 t -71.24 -18.67 62.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.428 1.091 . . . . 0.0 113.121 172.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.411 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 43.5 mtt -88.64 -1.69 58.2 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.468 -1.395 . . . . 0.0 114.217 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.727 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -69.72 -34.56 74.04 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -168.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.6 -33.09 75.12 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.789 1.177 . . . . 0.0 112.258 175.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -69.93 -41.8 74.13 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 168.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -69.32 -36.91 77.44 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.349 0.66 . . . . 0.0 112.014 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.78 -32.43 71.75 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.72 -1.238 . . . . 0.0 112.464 175.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -68.29 -21.43 64.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.569 1.148 . . . . 0.0 112.887 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.26 -59.1 5.18 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.798 0.726 . . . . 0.0 110.719 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.1 ptp -69.64 -34.1 73.56 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.137 0.426 . . . . 0.0 111.771 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 . . . . . 0 CA--C 1.542 0.649 0 C-N-CA 124.354 1.062 . . . . 0.0 112.908 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 120.97 0.414 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.08 -24.91 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -170.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? 56.01 73.17 0.87 Allowed Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 126.863 2.065 . . . . 0.0 112.821 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.61 160.54 43.89 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.093 2.529 . . . . 0.0 112.653 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -57.53 148.85 53.58 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.59 1.156 . . . . 0.0 112.065 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -62.34 -31.68 81.56 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.708 2.272 . . . . 0.0 112.84 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.57 -39.85 95.46 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.389 1.076 . . . . 0.0 112.348 174.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.6 tp -71.2 -45.21 63.84 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.713 0.805 . . . . 0.0 111.153 174.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -53.16 -45.9 68.64 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.88 -0.581 . . . . 0.0 111.406 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -56.85 -36.02 69.53 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.327 1.051 . . . . 0.0 113.448 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tt -62.67 -37.56 86.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.663 0.785 . . . . 0.0 111.414 172.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.01 -42.16 81.13 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.976 0.91 . . . . 0.0 111.485 170.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -32.94 70.18 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.53 -1.356 . . . . 0.0 112.187 176.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 m -64.74 -17.71 64.39 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.788 1.235 . . . . 0.0 113.792 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 m -113.81 21.15 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 125.861 1.665 . . . . 0.0 112.243 170.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.07 22.34 57.55 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 130.08 43.31 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 119.085 1.442 . . . . 0.0 110.933 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -93.21 -37.95 11.81 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.099 1.888 . . . . 0.0 116.099 -168.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -77.66 170.41 16.62 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.874 1.67 . . . . 0.0 112.17 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -102.57 -2.58 28.21 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 168.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -145.07 147.57 32.72 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.982 1.713 . . . . 0.0 107.443 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -147.74 161.67 40.74 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.681 1.593 . . . . 0.0 114.386 -169.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -80.52 161.77 24.65 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 166.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.7 mtp -55.57 -39.91 71.29 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.654 -1.279 . . . . 0.0 112.832 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -65.68 -42.77 90.89 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.254 1.021 . . . . 0.0 111.744 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.15 -43.58 94.78 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.4 t -63.07 -48.82 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.518 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.1 mt -57.69 -41.63 82.04 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.96 0.8 . . . . 0.0 111.925 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.251 26.3 t80 -55.11 -56.77 16.16 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 171.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -61.89 -41.8 98.32 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.0 -43.69 98.07 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.614 1.166 . . . . 0.0 111.497 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.04 -42.98 99.76 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.55 0.595 . . . . 0.0 112.879 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -64.58 -32.68 74.43 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.205 1.402 . . . . 0.0 112.525 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -68.59 -50.08 54.37 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.709 0.804 . . . . 0.0 112.287 173.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.19 -41.44 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 111.217 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 48.1 ttm -61.8 -55.37 30.76 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.317 1.447 . . . . 0.0 112.197 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -66.68 -34.44 77.87 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -76.61 -13.14 60.09 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.576 1.55 . . . . 0.0 113.77 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 53.45 44.55 29.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.402 2.281 . . . . 0.0 113.201 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.9 mt -75.69 -8.18 56.17 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -63.73 149.06 47.56 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.988 1.848 . . . . 0.0 115.988 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -63.64 148.03 50.03 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.361 -0.837 . . . . 0.0 111.426 169.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -67.58 -34.58 77.33 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.747 -1.221 . . . . 0.0 112.094 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -89.43 -59.86 2.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.139 1.376 . . . . 0.0 110.735 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -96.4 78.03 3.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.786 1.234 . . . . 0.0 109.923 176.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -65.91 -12.85 57.73 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.276 -0.89 . . . . 0.0 113.334 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -77.31 -3.02 37.81 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.231 1.412 . . . . 0.0 113.696 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.3 mt -108.19 127.28 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.687 1.595 . . . . 0.0 109.957 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.9 t -99.74 131.15 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.519 1.528 . . . . 0.0 110.529 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.257 45.5 m-85 -98.76 92.34 5.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.366 1.866 . . . . 0.0 115.481 173.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.405 ' HG ' ' CD2' ' A' ' 88' ' ' LEU . 4.0 m -79.07 -13.84 59.51 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.513 1.525 . . . . 0.0 113.046 -175.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -55.48 141.26 37.48 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.348 1.459 . . . . 0.0 113.762 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 57.38 20.27 5.79 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.673 1.989 . . . . 0.0 115.402 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -128.43 165.74 20.07 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.988 1.715 . . . . 0.0 113.647 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.3 tp -49.52 -38.99 32.62 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.593 1.157 . . . . 0.0 112.182 170.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.405 ' CD2' ' HG ' ' A' ' 83' ' ' CYS . 31.8 tp -59.61 -35.93 75.31 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.02 -30.43 72.16 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.025 0.821 . . . . 0.0 113.107 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -67.72 -29.88 69.23 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 170.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.94 -66.27 0.81 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.922 0.889 . . . . 0.0 111.332 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.301 32.2 m-85 -68.09 -21.59 64.95 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 -172.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.91 17.38 75.32 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 123.881 0.753 . . . . 0.0 114.856 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 m -136.68 153.97 76.2 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 126.109 1.764 . . . . 0.0 109.694 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.13 -28.34 23.6 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.129 2.553 . . . . 0.0 112.957 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -163.93 163.5 23.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.352 1.461 . . . . 0.0 112.343 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -154.39 154.83 33.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.259 1.024 . . . . 0.0 109.993 170.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.8 t -88.16 127.86 35.44 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.509 0.724 . . . . 0.0 111.335 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.39 -23.59 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.681 1.592 . . . . 0.0 112.446 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.53 -26.02 66.57 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.895 1.278 . . . . 0.0 113.62 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -79.44 55.13 1.86 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.415 1.086 . . . . 0.0 112.44 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -51.13 -43.73 61.22 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.309 1.044 . . . . 0.0 112.177 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.4 ptt85 -54.61 -35.16 63.09 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.317 1.847 . . . . 0.0 115.128 174.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -80.28 -45.32 18.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.733 1.213 . . . . 0.0 110.421 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.24 -41.27 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.751 0.82 . . . . 0.0 111.007 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -56.63 -45.15 81.7 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.294 0.7 OUTLIER -68.79 -36.5 78.34 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 173.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 67.1 mtm -64.44 -41.22 96.69 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.555 -0.716 . . . . 0.0 112.154 172.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.4 mmm -66.71 -43.07 85.3 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.893 0.877 . . . . 0.0 111.915 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.35 72.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.502 0.721 . . . . 0.0 112.62 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -69.07 -16.21 63.63 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.3 mtt -92.09 5.81 48.85 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.353 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.468 0 C-N-CA 125.593 1.557 . . . . 0.0 113.118 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 17.3 t80 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 117.871 2.545 . . . . 0.0 117.871 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -57.96 -22.9 51.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.93 -37.3 81.82 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.159 0.984 . . . . 0.0 112.827 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -68.02 -42.16 81.07 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -69.5 -36.38 76.44 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.229 0.612 . . . . 0.0 111.403 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.56 -29.7 69.33 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.852 -1.155 . . . . 0.0 112.398 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -72.76 -18.3 61.51 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.922 0.889 . . . . 0.0 112.931 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.02 -49.37 67.96 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.713 1.142 . . . . 0.0 110.493 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.442 ' SD ' ' HE2' ' A' ' 57' ' ' LYS . 14.5 ptp -78.14 -33.34 50.44 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -172.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 177.133 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.5 mt . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -100.25 -25.07 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -177.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 47.54 72.1 1.37 Allowed Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 127.414 2.286 . . . . 0.0 112.618 -174.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.22 165.89 30.99 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.0 2.466 . . . . 0.0 112.919 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -58.4 146.21 72.81 Favored Pre-proline 0 N--CA 1.478 0.945 0 C-N-CA 124.154 0.982 . . . . 0.0 112.16 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -63.43 -26.2 70.69 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.204 2.603 . . . . 0.0 113.649 -175.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.85 -38.57 82.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.06 0.944 . . . . 0.0 112.134 173.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.71 -43.15 56.55 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.184 0.594 . . . . 0.0 111.354 176.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.52 -40.55 68.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.694 0.798 . . . . 0.0 112.273 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.85 -37.06 80.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.966 0.906 . . . . 0.0 113.01 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.6 -41.33 88.63 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.904 0.882 . . . . 0.0 111.677 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.8 -41.42 91.16 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.085 0.857 . . . . 0.0 110.927 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -68.13 -20.54 64.91 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 172.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.6 m -66.87 -17.21 64.78 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.119 0.872 . . . . 0.0 112.609 169.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.64 16.27 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 126.007 1.723 . . . . 0.0 112.535 168.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.38 23.68 50.13 Favored Glycine 0 CA--C 1.533 1.202 0 N-CA-C 117.022 1.569 . . . . 0.0 117.022 168.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.45 121.65 15.77 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 119.393 1.596 . . . . 0.0 112.146 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -81.23 -34.04 32.44 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -168.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -70.33 166.59 19.89 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.919 1.287 . . . . 0.0 112.17 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -101.55 -5.82 24.67 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.062 1.745 . . . . 0.0 115.626 168.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.11 149.66 28.31 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -141.16 152.78 44.95 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.79 158.78 30.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.42 0.688 . . . . 0.0 112.614 166.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 32.4 ttm -61.19 -34.42 75.04 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.456 -1.402 . . . . 0.0 111.536 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' HE2' ' SD ' ' A' ' 0' ' ' MET . 14.1 tptm -62.12 -43.19 99.37 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.503 1.121 . . . . 0.0 111.055 175.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.26 -43.74 81.1 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.09 0.956 . . . . 0.0 113.193 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.78 -50.26 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.762 0.71 . . . . 0.0 110.444 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.14 -45.7 79.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.362 0.665 . . . . 0.0 111.186 173.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.254 39.9 t80 -52.55 -61.0 2.56 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 174.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -60.18 -40.1 88.81 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.987 1.847 . . . . 0.0 115.987 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.73 -46.67 81.25 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.267 1.027 . . . . 0.0 111.923 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.25 -40.26 96.54 Favored Glycine 0 CA--C 1.526 0.775 0 O-C-N 121.577 -0.702 . . . . 0.0 113.215 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -62.91 -35.82 81.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 117.676 0.738 . . . . 0.0 111.916 172.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -62.41 -51.9 65.71 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 170.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.0 mt -58.76 -42.09 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.59 1.156 . . . . 0.0 111.044 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.2 ttm -66.21 -54.13 28.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.701 1.201 . . . . 0.0 112.276 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -66.97 -33.65 76.04 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.0 -4.94 49.57 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.889 1.275 . . . . 0.0 113.66 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 53.3 44.45 30.11 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 127.46 2.304 . . . . 0.0 113.315 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.5 mt -76.68 -5.79 49.4 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -67.29 148.89 51.11 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -59.65 136.24 57.93 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -65.36 -26.14 67.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -84.89 -63.14 1.38 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.333 1.053 . . . . 0.0 111.726 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -96.77 109.5 22.16 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.086 0.954 . . . . 0.0 111.898 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.43 27.14 0.05 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.034 1.334 . . . . 0.0 114.337 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -141.7 -8.83 0.94 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.924 2.089 . . . . 0.0 112.909 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.8 mt -90.48 136.89 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 120.009 1.277 . . . . 0.0 108.377 171.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -121.28 131.31 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.627 1.571 . . . . 0.0 110.234 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 59.6 m-85 -99.05 137.71 37.19 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 175.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.0 p -153.42 37.95 0.48 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.756 1.223 . . . . 0.0 113.28 -171.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 t -70.75 120.73 16.79 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.505 -1.372 . . . . 0.0 111.979 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 55.41 29.65 13.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.307 1.843 . . . . 0.0 115.905 172.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -120.63 -179.23 3.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.518 1.527 . . . . 0.0 113.677 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.5 tp -55.24 -40.54 71.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.31 1.044 . . . . 0.0 112.884 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.5 -34.09 71.96 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.218 0.607 . . . . 0.0 112.417 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.24 -40.11 96.46 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.339 0.971 . . . . 0.0 113.133 171.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.72 -27.71 68.53 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 173.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.5 mt -76.33 -62.13 1.72 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.169 1.388 . . . . 0.0 112.328 171.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.297 29.6 m-85 -71.76 -20.15 61.92 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 117.671 2.471 . . . . 0.0 117.671 -177.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.88 18.86 80.13 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.378 0.99 . . . . 0.0 114.747 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.2 m -143.53 154.38 59.84 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 125.765 1.626 . . . . 0.0 110.053 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.5 -19.98 18.61 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.823 3.015 . . . . 0.0 113.723 173.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.1 p -163.18 160.71 24.45 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.753 1.621 . . . . 0.0 111.559 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -153.07 175.2 13.25 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.582 1.153 . . . . 0.0 108.349 174.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.8 t -130.14 131.06 45.51 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.294 -0.879 . . . . 0.0 113.012 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -3.21 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 126.182 1.793 . . . . 0.0 114.663 172.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -65.79 -30.05 70.63 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.507 1.123 . . . . 0.0 112.229 169.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -116.28 74.86 0.92 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.602 1.561 . . . . 0.0 112.621 -174.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -50.8 -34.36 27.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.781 1.232 . . . . 0.0 113.383 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.8 -37.63 43.67 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.878 1.671 . . . . 0.0 114.398 174.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -79.06 -40.5 31.1 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.99 0.916 . . . . 0.0 111.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.6 -43.53 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.116 0.566 . . . . 0.0 110.992 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -56.45 -43.66 79.74 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.255 0.9 OUTLIER -65.75 -34.73 78.84 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 174.251 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.5 mtm -74.13 -36.47 64.17 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.361 -0.837 . . . . 0.0 112.555 174.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 92.1 mmm -64.64 -40.59 95.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.635 0.774 . . . . 0.0 111.677 171.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.34 79.56 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.756 -0.59 . . . . 0.0 111.775 171.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.0 m -70.33 -6.13 32.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.8 mtt -93.79 -5.36 48.41 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.672 1.189 . . . . 0.0 114.052 171.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.477 0.922 0 C-N-CA 125.574 1.55 . . . . 0.0 115.087 -178.308 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 38.6 t80 . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -68.05 -32.14 72.29 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.82 -37.11 86.18 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.315 -0.865 . . . . 0.0 111.717 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -68.64 -45.57 71.47 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -67.27 -36.53 81.78 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.402 1.081 . . . . 0.0 111.965 -177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.59 -32.1 71.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.489 1.116 . . . . 0.0 112.291 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -70.86 -19.41 62.64 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.215 1.006 . . . . 0.0 112.433 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.44 -53.18 52.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.185 0.994 . . . . 0.0 111.401 169.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.1 ptp -76.45 -21.69 55.57 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 125.766 1.626 . . . . 0.0 114.166 170.265 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 CA--C 1.542 0.657 0 CA-C-O 120.769 0.319 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -100.18 -22.58 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -173.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 53.37 76.31 0.54 Allowed Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.85 2.06 . . . . 0.0 112.835 -168.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.61 155.54 58.07 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.374 2.716 . . . . 0.0 113.995 -174.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 43.3 mtmt -60.19 149.47 75.3 Favored Pre-proline 0 N--CA 1.479 0.987 0 C-N-CA 123.863 0.865 . . . . 0.0 111.549 169.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -61.11 -32.57 91.56 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.747 2.298 . . . . 0.0 112.814 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.46 -37.67 84.43 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.535 1.134 . . . . 0.0 112.383 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 tp -76.36 -46.35 27.87 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.733 0.813 . . . . 0.0 111.543 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.09 -38.44 68.11 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.627 0.771 . . . . 0.0 112.093 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -56.0 -42.06 75.83 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.316 1.046 . . . . 0.0 113.234 170.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.27 -44.64 87.4 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.002 0.921 . . . . 0.0 111.684 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mt -61.64 -42.68 99.24 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.859 0.754 . . . . 0.0 111.228 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.67 -21.53 61.06 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -66.06 -23.07 66.46 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.668 0.787 . . . . 0.0 112.741 168.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.2 m -104.53 16.28 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.668 1.587 . . . . 0.0 113.678 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.33 23.67 46.87 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 116.519 1.368 . . . . 0.0 116.519 169.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.56 133.75 55.53 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 119.199 1.5 . . . . 0.0 111.97 173.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -87.15 -45.55 10.57 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -169.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -89.22 173.66 8.28 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.799 2.04 . . . . 0.0 112.594 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -102.29 -3.93 26.44 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 p -135.95 145.15 45.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.206 1.402 . . . . 0.0 108.504 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -149.48 162.47 40.06 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.199 1.8 . . . . 0.0 114.767 -170.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -83.52 165.97 18.66 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.76 1.224 . . . . 0.0 113.286 167.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.4 mmt -53.29 -42.37 66.54 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.253 -0.905 . . . . 0.0 112.575 171.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.85 -44.17 86.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.159 0.984 . . . . 0.0 112.098 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -65.69 -41.01 92.91 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.52 -49.11 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.442 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 mt -58.92 -43.7 91.16 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.268 0.94 . . . . 0.0 111.3 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.268 31.0 t80 -51.41 -59.6 4.06 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 172.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -60.55 -41.67 94.99 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.54 -40.52 97.05 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.733 1.213 . . . . 0.0 111.554 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.56 -38.08 95.25 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 119.275 -0.736 . . . . 0.0 113.381 172.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -62.9 -37.61 87.64 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.8 1.3 . . . . 0.0 111.433 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -67.97 -47.53 68.35 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.226 0.61 . . . . 0.0 110.882 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.03 -39.06 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.012 0.925 . . . . 0.0 111.489 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.0 mtm -66.36 -54.77 20.62 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 173.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -64.46 -33.25 75.45 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -80.83 -12.28 59.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.752 1.621 . . . . 0.0 113.89 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 52.55 48.52 22.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.51 2.324 . . . . 0.0 113.56 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.0 mt -80.18 -5.61 56.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -176.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -67.53 146.35 54.02 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 170.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.9 130.98 45.44 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -62.58 -27.42 69.18 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -81.22 -62.39 1.67 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.703 1.201 . . . . 0.0 111.302 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -110.12 93.15 4.35 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.811 1.244 . . . . 0.0 111.225 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -66.07 -14.27 61.44 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.208 -0.932 . . . . 0.0 113.441 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -76.24 3.97 9.69 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.778 1.231 . . . . 0.0 113.777 169.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.4 mt -119.01 133.96 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.777 1.631 . . . . 0.0 109.411 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.8 t -106.93 133.74 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.451 1.5 . . . . 0.0 111.646 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.298 51.9 m-85 -103.5 83.69 2.2 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.418 1.887 . . . . 0.0 115.542 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 m -73.57 -15.52 61.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.157 1.783 . . . . 0.0 113.462 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -52.46 138.11 28.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.435 1.494 . . . . 0.0 114.292 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 58.55 16.23 4.12 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.951 2.1 . . . . 0.0 115.927 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -120.9 167.79 12.17 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.716 1.607 . . . . 0.0 113.761 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.97 -35.83 35.68 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.671 1.188 . . . . 0.0 112.463 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.79 -37.12 85.44 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.606 -0.684 . . . . 0.0 112.755 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.97 -36.46 51.98 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.188 0.899 . . . . 0.0 112.758 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.47 -31.55 71.52 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 170.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.19 -62.57 1.47 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.972 1.309 . . . . 0.0 112.262 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.263 43.7 m-85 -68.34 -24.77 64.85 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 -174.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.94 16.31 79.47 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.063 0.84 . . . . 0.0 114.738 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.28 153.41 68.8 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 125.995 1.718 . . . . 0.0 109.592 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.42 -25.5 21.42 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.381 2.721 . . . . 0.0 113.425 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.3 p -163.97 163.37 23.49 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.086 1.354 . . . . 0.0 112.675 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -154.41 157.69 38.89 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.472 1.109 . . . . 0.0 110.529 170.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.5 t -93.31 132.34 37.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.844 0.858 . . . . 0.0 111.969 169.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.22 -17.37 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.245 1.818 . . . . 0.0 113.742 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -62.67 -33.13 74.42 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 175.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -88.64 100.44 13.1 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 122.328 1.061 . . . . 0.0 113.083 172.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -68.62 -53.28 23.6 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.223 -176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -57.14 -35.04 69.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.053 1.741 . . . . 0.0 113.362 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -64.6 -44.71 89.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.681 1.193 . . . . 0.0 111.221 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.8 mt -66.1 -47.46 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 119.038 -0.506 . . . . 0.0 110.92 173.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -55.33 -46.6 76.33 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -61.48 -40.65 95.33 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 75.2 mtm -67.44 -45.86 74.8 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.697 -0.627 . . . . 0.0 112.132 174.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -78.2 -21.13 50.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.722 0.809 . . . . 0.0 112.217 -173.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.58 -24.99 66.42 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.947 -1.096 . . . . 0.0 112.065 168.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -70.06 -16.34 63.13 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.717 -1.24 . . . . 0.0 112.26 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.473 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 35.9 mtt -83.63 4.0 30.35 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.112 1.365 . . . . 0.0 113.023 171.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.475 0.776 0 C-N-CA 126.185 1.794 . . . . 0.0 114.567 177.629 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 45.8 t80 . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -68.86 -30.77 69.36 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -172.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -65.18 -41.29 94.76 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.324 -0.86 . . . . 0.0 111.5 172.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -63.36 -41.78 98.85 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 169.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -70.12 -38.25 75.53 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.636 0.775 . . . . 0.0 111.668 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.69 -30.82 71.85 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.977 -1.077 . . . . 0.0 111.932 173.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -29.03 70.1 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.678 1.191 . . . . 0.0 112.91 177.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.37 -53.4 58.59 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.403 0.681 . . . . 0.0 111.299 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.3 ptp -81.24 -28.36 34.84 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -172.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 . . . . . 0 N--CA 1.472 0.646 0 C-N-CA 124.473 1.109 . . . . 0.0 113.07 176.662 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.6 mt . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 m -99.05 -24.21 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 53.67 77.98 0.42 Allowed Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 126.949 2.1 . . . . 0.0 112.287 -168.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.95 152.88 63.55 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 122.743 2.295 . . . . 0.0 111.842 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 0.1 OUTLIER -65.75 155.81 85.09 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 123.369 0.668 . . . . 0.0 111.956 178.229 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -57.5 -33.14 95.95 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.109 2.54 . . . . 0.0 114.444 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.7 tp -63.05 -34.37 77.42 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.301 1.041 . . . . 0.0 112.602 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.6 tp -76.9 -42.91 37.71 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 123.883 0.873 . . . . 0.0 111.252 174.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.3 tp -55.89 -40.15 72.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.207 0.603 . . . . 0.0 112.084 175.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -56.09 -45.44 79.39 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.051 0.94 . . . . 0.0 112.241 170.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.19 -45.47 88.2 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.854 0.861 . . . . 0.0 111.698 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.13 -43.3 99.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.707 0.803 . . . . 0.0 110.745 176.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -75.26 -19.14 59.88 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 p -64.54 -27.26 68.84 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 118.955 0.798 . . . . 0.0 112.195 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -99.51 14.91 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.399 1.48 . . . . 0.0 113.237 169.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.69 29.31 32.68 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 116.042 1.177 . . . . 0.0 116.042 169.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.35 136.49 57.94 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 119.211 1.505 . . . . 0.0 110.987 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -91.53 -17.72 25.23 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -167.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -104.9 169.63 8.33 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.826 2.051 . . . . 0.0 115.094 -171.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -93.43 -19.56 21.16 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.683 1.993 . . . . 0.0 116.172 169.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 p -142.93 152.29 41.87 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.704 2.002 . . . . 0.0 108.049 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -145.36 163.59 34.1 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.922 1.289 . . . . 0.0 114.42 -169.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -83.55 161.5 21.18 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.748 1.219 . . . . 0.0 114.117 166.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.1 mmt -54.79 -43.06 72.53 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.887 -1.133 . . . . 0.0 112.42 173.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -71.37 -33.83 69.89 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.233 1.013 . . . . 0.0 112.832 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.68 -45.05 84.32 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 170.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.88 -45.41 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.099 0.56 . . . . 0.0 109.98 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.65 -47.27 85.02 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.931 0.787 . . . . 0.0 111.539 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -52.46 -57.53 9.59 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 174.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -62.1 -38.17 87.86 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.6 tp -65.61 -41.45 92.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.911 0.885 . . . . 0.0 111.838 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.45 -42.2 99.72 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 121.432 -0.792 . . . . 0.0 112.672 173.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -61.09 -37.26 82.08 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 117.794 0.797 . . . . 0.0 112.664 171.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.06 -50.03 70.01 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.03 -37.45 77.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.296 1.038 . . . . 0.0 111.486 177.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.8 mtm -64.73 -52.18 58.41 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 173.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -66.5 -35.26 79.82 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -77.96 -19.38 54.65 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.816 1.646 . . . . 0.0 114.014 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 56.0 46.29 22.12 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.234 2.214 . . . . 0.0 113.404 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.7 mt -76.62 -12.03 59.95 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -67.11 151.83 46.87 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -65.3 130.54 43.71 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.387 -0.82 . . . . 0.0 111.543 167.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -56.45 -29.67 61.95 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -86.99 -64.44 1.15 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.21 1.004 . . . . 0.0 110.922 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -86.96 74.63 9.69 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.025 1.33 . . . . 0.0 110.351 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -67.57 -14.5 62.99 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.304 -0.873 . . . . 0.0 112.832 -174.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -80.15 4.04 18.63 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.131 1.372 . . . . 0.0 113.916 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.5 mt -124.99 129.93 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.527 1.531 . . . . 0.0 110.285 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.0 t -101.31 136.46 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.952 1.701 . . . . 0.0 110.626 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 73.9 m-85 -110.93 62.21 0.61 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.054 2.141 . . . . 0.0 115.042 -178.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.48 2.53 3.02 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -171.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.7 t -48.79 133.07 17.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.319 1.448 . . . . 0.0 113.869 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 59.93 1.09 0.3 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.634 2.374 . . . . 0.0 116.798 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -85.56 167.92 14.96 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 120.962 -1.087 . . . . 0.0 111.9 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.2 tp -53.37 -36.93 61.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.049 0.94 . . . . 0.0 111.418 168.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.88 -35.06 76.43 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.92 -36.54 92.98 Favored Glycine 0 CA--C 1.532 1.134 0 O-C-N 121.571 -0.706 . . . . 0.0 112.691 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.84 -26.92 65.4 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 171.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.5 mt -78.7 -53.68 6.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.075 1.35 . . . . 0.0 112.454 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.27 32.9 m-85 -70.32 -24.19 62.97 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 117.229 2.307 . . . . 0.0 117.229 175.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.59 19.42 79.88 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.468 1.032 . . . . 0.0 114.625 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.89 154.52 62.25 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 125.671 1.588 . . . . 0.0 110.209 -175.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -71.62 -24.0 22.44 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.379 2.72 . . . . 0.0 113.373 173.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.8 p -161.73 159.8 27.68 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.022 1.329 . . . . 0.0 112.171 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.52 153.67 31.85 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.961 0.904 . . . . 0.0 109.547 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.8 t -90.04 128.64 36.33 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.952 0.901 . . . . 0.0 112.284 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.94 -29.56 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.473 1.509 . . . . 0.0 113.122 172.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -66.38 -29.49 69.67 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.569 1.548 . . . . 0.0 112.532 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -80.82 60.65 4.16 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.453 1.501 . . . . 0.0 111.988 173.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -53.54 -41.58 66.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -169.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -62.14 -37.49 85.37 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.22 1.008 . . . . 0.0 113.054 -176.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -64.81 -42.91 94.62 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.955 0.902 . . . . 0.0 110.813 174.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.23 -47.85 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.007 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -57.06 -42.74 81.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.072 1.305 . . . . 0.0 113.275 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.289 0.8 OUTLIER -69.19 -36.19 77.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 175.295 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.2 mtm -69.72 -35.51 75.08 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.105 -0.997 . . . . 0.0 112.614 171.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 90.4 mmm -66.2 -40.36 90.32 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.467 1.107 . . . . 0.0 111.474 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.87 72.01 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.631 -0.668 . . . . 0.0 112.478 171.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.1 m -70.53 -14.95 62.72 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 172.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.474 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 45.3 mtt -81.83 -12.32 58.56 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.729 -1.232 . . . . 0.0 113.116 169.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.29 1.3 p . . . . . 0 N--CA 1.475 0.801 0 C-N-CA 126.713 2.005 . . . . 0.0 115.619 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 35.8 t80 . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -66.45 -31.0 71.48 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -65.0 -41.47 95.36 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.319 -0.863 . . . . 0.0 111.668 173.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -64.69 -40.2 94.97 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 169.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -73.87 -33.98 64.27 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.139 0.976 . . . . 0.0 111.848 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 15.5 tp -63.21 -31.17 72.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.755 -1.215 . . . . 0.0 111.971 171.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -25.67 67.43 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.924 1.29 . . . . 0.0 112.31 178.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.22 -56.5 18.03 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.36 0.664 . . . . 0.0 111.281 170.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.6 ptp -72.49 -29.65 63.83 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 124.547 1.139 . . . . 0.0 112.976 173.106 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 CA--C 1.539 0.531 0 CA-C-O 121.792 0.806 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -126.08 161.02 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.963 2.505 . . . . 0.0 111.108 168.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.19 90.92 10.48 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 123.41 0.684 . . . . 0.0 109.702 173.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.83 152.91 80.23 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.506 2.138 . . . . 0.0 112.488 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 18.4 ptpt -62.61 157.47 57.36 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 124.146 0.978 . . . . 0.0 112.654 -176.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -55.68 -35.58 93.37 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.26 2.64 . . . . 0.0 114.701 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.15 -33.47 75.86 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.088 0.955 . . . . 0.0 112.758 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.8 tp -79.79 -42.9 23.48 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 124.224 1.009 . . . . 0.0 111.281 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -55.66 -40.73 72.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.499 0.72 . . . . 0.0 111.767 174.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -54.95 -45.72 74.91 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.446 1.098 . . . . 0.0 112.523 170.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.37 -46.06 85.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.053 0.941 . . . . 0.0 111.372 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.17 -40.46 93.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.803 0.841 . . . . 0.0 110.934 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -71.74 -25.05 61.9 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.0 p -64.81 -26.73 68.47 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.267 0.94 . . . . 0.0 112.232 172.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -98.84 12.17 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.944 1.697 . . . . 0.0 113.367 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.3 28.16 28.51 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.208 1.385 . . . . 0.0 116.433 168.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.66 137.21 45.89 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.415 1.607 . . . . 0.0 111.28 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -89.49 -31.69 17.55 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -168.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -93.14 177.21 6.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.774 1.63 . . . . 0.0 113.649 -169.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -112.61 -0.07 15.26 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.241 1.816 . . . . 0.0 114.786 167.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 p -137.99 143.87 40.85 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.908 2.083 . . . . 0.0 106.962 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -148.26 155.74 41.7 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -170.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 p -77.34 158.11 30.31 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 118.788 0.722 . . . . 0.0 112.686 165.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.6 mmt -58.16 -38.61 76.96 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.85 -1.156 . . . . 0.0 112.863 173.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -66.76 -37.47 84.67 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.123 0.874 . . . . 0.0 112.805 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.77 -47.04 85.22 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.654 1.116 . . . . 0.0 112.648 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.14 -48.02 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 122.996 0.518 . . . . 0.0 110.498 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 mt -57.95 -49.14 77.81 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.752 0.705 . . . . 0.0 111.745 175.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -51.34 -56.01 15.41 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 115.486 1.661 . . . . 0.0 115.486 175.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -62.45 -41.92 99.09 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.94 -39.47 94.71 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.921 0.888 . . . . 0.0 111.591 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.49 -51.33 57.09 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 170.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -59.0 -33.94 71.28 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.969 0.885 . . . . 0.0 112.445 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.03 -49.02 64.03 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.919 0.781 . . . . 0.0 112.114 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.33 -38.61 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.439 1.095 . . . . 0.0 111.123 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 41.9 mtp -67.45 -51.85 46.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.321 1.448 . . . . 0.0 113.34 175.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -65.23 -32.84 74.71 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -82.6 -16.36 48.72 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.661 1.585 . . . . 0.0 114.663 172.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 52.92 48.4 22.52 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 127.197 2.199 . . . . 0.0 113.312 -174.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.4 mt -74.21 -11.82 60.39 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -62.75 148.11 47.74 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.77 129.7 41.19 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.332 -0.855 . . . . 0.0 112.744 168.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.12 -28.28 67.73 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -80.96 -68.85 0.65 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.884 0.874 . . . . 0.0 110.109 173.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -100.48 91.01 4.49 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.104 0.962 . . . . 0.0 110.239 -178.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.37 -8.96 44.73 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.203 -0.935 . . . . 0.0 112.844 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -81.22 10.2 5.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.897 1.679 . . . . 0.0 113.086 167.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.2 mt -126.54 137.88 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.739 2.015 . . . . 0.0 108.932 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.46 126.26 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 125.62 1.568 . . . . 0.0 110.636 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.29 55.8 m-85 -95.19 65.0 2.79 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.061 2.144 . . . . 0.0 115.199 177.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.73 -6.15 24.71 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.868 2.174 . . . . 0.0 116.868 -169.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.3 t -45.84 129.98 9.41 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.736 1.615 . . . . 0.0 114.037 -177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 59.53 -22.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.692 2.797 . . . . 0.0 117.691 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.251 16.2 m-20 -78.08 55.55 1.49 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.295 1.838 . . . . 0.0 115.536 172.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.3 tp 60.18 -50.88 0.09 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 129.514 3.126 . . . . 0.0 115.515 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.73 -29.75 70.74 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.169 1.788 . . . . 0.0 114.188 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.46 -32.91 82.82 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.414 -0.804 . . . . 0.0 113.41 172.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -74.08 -25.91 60.08 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.9 mt -73.47 -54.8 7.39 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.151 0.98 . . . . 0.0 111.603 170.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.266 39.0 m-85 -70.08 -21.36 63.15 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 116.946 2.202 . . . . 0.0 116.946 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.37 22.06 76.47 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.472 1.034 . . . . 0.0 114.262 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.8 m -146.36 155.62 49.89 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.183 1.793 . . . . 0.0 109.523 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.29 -23.93 20.28 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.178 2.586 . . . . 0.0 113.379 172.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.3 p -159.82 159.04 32.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.3 1.44 . . . . 0.0 112.099 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -150.9 162.82 40.06 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.957 0.903 . . . . 0.0 109.536 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -107.78 114.98 29.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.274 1.429 . . . . 0.0 113.46 -174.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.96 -22.52 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.277 1.431 . . . . 0.0 114.067 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -56.86 -28.53 61.86 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.067 1.747 . . . . 0.0 113.348 169.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -110.93 73.08 0.8 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.105 1.362 . . . . 0.0 111.944 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -50.3 -40.56 48.96 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.744 1.218 . . . . 0.0 113.241 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -35.46 47.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.256 1.823 . . . . 0.0 114.175 175.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -81.62 -35.53 29.97 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.23 1.412 . . . . 0.0 111.596 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.05 -45.16 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.236 0.615 . . . . 0.0 110.89 173.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -54.53 -45.87 73.48 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 t -64.89 -36.8 85.53 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.8 mtm -72.2 -39.09 68.86 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.605 -0.684 . . . . 0.0 112.359 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.9 mmm -63.46 -40.44 97.13 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.966 0.907 . . . . 0.0 111.754 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.47 -29.09 70.43 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.601 0.76 . . . . 0.0 112.777 174.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.7 m -74.97 -16.56 60.63 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 176.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.405 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 58.9 mtt -79.35 -1.79 38.56 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.269 2.0 p . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 126.297 1.839 . . . . 0.0 115.634 -176.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 13.5 t80 . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -66.02 -27.3 68.01 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -62.02 -39.5 92.5 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.307 -0.871 . . . . 0.0 111.447 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -71.45 -42.72 67.84 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -67.77 -34.84 77.59 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.53 0.732 . . . . 0.0 111.834 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.58 -32.48 70.41 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.396 1.079 . . . . 0.0 112.434 174.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -73.12 -19.08 61.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.908 0.883 . . . . 0.0 112.899 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 73.5 mt -64.54 -55.63 19.28 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.512 0.596 . . . . 0.0 110.842 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.21 -23.55 64.84 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -172.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 171.045 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.96 169.27 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 130.013 3.325 . . . . 0.0 109.99 168.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -112.3 91.4 16.27 Favored Pre-proline 0 N--CA 1.472 0.637 0 O-C-N 121.893 -0.504 . . . . 0.0 111.403 172.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -62.96 148.85 93.02 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.646 2.231 . . . . 0.0 112.67 175.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.46 156.71 50.91 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 124.912 1.285 . . . . 0.0 113.007 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -56.09 -35.17 94.54 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.272 2.648 . . . . 0.0 114.636 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.51 -35.66 81.21 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.209 1.004 . . . . 0.0 112.524 175.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.0 tp -79.1 -40.72 30.38 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.753 1.221 . . . . 0.0 111.49 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.1 tp -55.63 -41.08 73.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.795 0.838 . . . . 0.0 111.847 172.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.86 -41.41 82.37 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.8 0.84 . . . . 0.0 112.658 172.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 tt -65.92 -47.7 73.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.028 0.931 . . . . 0.0 111.335 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.68 -41.91 96.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.108 0.963 . . . . 0.0 111.163 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -74.39 -24.16 59.08 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.6 p -64.56 -26.65 68.51 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.189 0.904 . . . . 0.0 112.374 170.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.9 m -98.01 13.38 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.833 1.653 . . . . 0.0 114.263 169.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 22.35 30.02 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 117.0 1.56 . . . . 0.0 117.0 168.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.61 166.04 13.58 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 119.626 1.713 . . . . 0.0 112.572 172.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -136.76 -27.62 1.01 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -169.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -83.95 176.9 8.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.478 1.511 . . . . 0.0 113.523 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -101.91 -38.15 7.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.154 1.382 . . . . 0.0 114.084 167.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -99.99 148.71 24.21 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.212 1.805 . . . . 0.0 107.977 172.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -145.26 151.41 38.32 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.612 1.565 . . . . 0.0 113.078 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -73.41 153.29 40.48 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.351 0.978 . . . . 0.0 112.782 167.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 mtp -60.5 -30.91 70.01 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.644 -1.285 . . . . 0.0 112.24 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -68.39 -41.5 80.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.089 1.356 . . . . 0.0 112.413 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.42 -42.89 98.74 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.158 0.89 . . . . 0.0 112.64 172.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.39 -49.73 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.607 0.763 . . . . 0.0 109.467 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.65 -47.68 83.62 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.098 0.863 . . . . 0.0 111.356 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -51.77 -50.98 59.62 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 176.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -72.57 -35.26 67.92 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.27 -40.64 96.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.037 0.935 . . . . 0.0 111.595 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.47 -39.52 97.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 121.77 -0.581 . . . . 0.0 112.97 171.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -63.23 -34.74 78.32 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.3 1.05 . . . . 0.0 113.216 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -66.42 -47.43 73.26 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.633 0.652 . . . . 0.0 111.799 173.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.51 -38.47 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.328 1.051 . . . . 0.0 111.604 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.1 mtm -65.61 -54.36 28.92 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 173.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 t -63.55 -33.47 75.66 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -79.77 -13.82 59.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.636 1.575 . . . . 0.0 114.126 171.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 53.5 46.28 26.48 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.857 2.463 . . . . 0.0 113.224 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.8 mt -78.9 -10.13 59.71 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -173.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -65.48 147.88 52.67 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -67.61 129.86 41.23 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.311 -0.868 . . . . 0.0 113.225 170.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.01 -26.71 68.39 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.222 -0.924 . . . . 0.0 113.298 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -83.47 -67.37 0.8 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.439 1.096 . . . . 0.0 110.955 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -91.92 88.8 6.75 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.333 1.053 . . . . 0.0 110.835 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.61 -17.51 62.95 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -86.63 6.36 31.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.946 1.698 . . . . 0.0 114.207 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -121.97 138.8 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.405 1.482 . . . . 0.0 110.404 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.6 t -114.3 135.7 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.034 1.734 . . . . 0.0 110.7 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -107.58 130.07 54.92 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.283 1.833 . . . . 0.0 114.463 173.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.8 p -146.64 16.49 1.27 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -168.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.9 t -54.71 125.93 21.95 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.15 -0.969 . . . . 0.0 112.295 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 58.32 9.76 1.12 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 127.13 2.172 . . . . 0.0 116.381 -175.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -87.28 166.04 15.2 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.512 1.125 . . . . 0.0 112.501 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.82 -38.69 61.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.1 0.96 . . . . 0.0 112.054 169.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.2 tp -67.49 -35.47 79.21 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.93 -35.0 65.22 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.678 0.656 . . . . 0.0 112.616 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.2 -29.76 70.6 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 170.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.3 mt -74.91 -64.09 1.12 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.904 1.282 . . . . 0.0 112.01 169.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.279 37.5 m-85 -67.29 -21.07 65.7 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 -177.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.85 18.6 78.68 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.66 1.124 . . . . 0.0 114.831 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.3 m -143.16 153.61 60.16 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 125.396 1.478 . . . . 0.0 110.553 -174.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.78 -20.21 20.2 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.753 2.969 . . . . 0.0 113.866 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -164.04 160.62 21.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.792 1.637 . . . . 0.0 111.186 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -154.83 157.05 37.3 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.536 0.684 . . . . 0.0 110.464 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.3 t -92.06 127.72 37.64 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.47 1.108 . . . . 0.0 112.165 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.2 t -66.51 -31.04 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.496 1.518 . . . . 0.0 113.208 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -64.51 -30.62 71.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.358 1.463 . . . . 0.0 112.498 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -79.6 58.05 2.62 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.467 1.507 . . . . 0.0 112.514 177.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -51.89 -40.63 60.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.902 1.281 . . . . 0.0 114.39 -169.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -57.77 -42.18 83.53 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.724 1.21 . . . . 0.0 112.788 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -67.66 -41.23 84.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.959 0.903 . . . . 0.0 111.868 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.0 mt -61.46 -47.79 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.0 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.59 -44.68 85.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.782 1.174 . . . . 0.0 113.837 -176.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.254 1.5 t -66.35 -40.75 90.01 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 74.1 mtm -65.41 -42.6 92.39 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.574 -0.704 . . . . 0.0 112.111 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -76.73 -32.63 57.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 0.0 111.607 -175.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.33 80.18 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.446 -0.784 . . . . 0.0 111.813 172.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 m -64.16 -16.45 61.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.255 1.022 . . . . 0.0 113.739 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.0 mtt -78.22 -3.01 40.54 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.422 1.089 . . . . 0.0 113.459 171.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.269 1.6 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -170.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -68.44 -30.53 69.43 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -170.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -63.42 -40.58 97.57 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.272 -0.893 . . . . 0.0 111.603 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -64.6 -42.26 95.68 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 168.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -70.86 -36.33 72.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.197 0.599 . . . . 0.0 112.194 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 14.9 tp -64.4 -32.49 74.13 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.931 -1.106 . . . . 0.0 112.477 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -64.1 -30.72 71.77 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.129 1.372 . . . . 0.0 111.696 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.26 -54.21 32.65 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.981 0.913 . . . . 0.0 111.817 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 0' ' ' MET . . . . . 0.467 ' SD ' ' HE2' ' A' ' 57' ' ' LYS . 13.0 ptp -67.99 -29.48 68.52 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -173.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 . . . . . 0 CA--C 1.545 0.779 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 173.342 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.9 m -103.6 -24.79 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -172.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 47.03 81.16 0.26 Allowed Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 127.597 2.359 . . . . 0.0 111.535 -169.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -67.62 159.71 51.36 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.158 1.905 . . . . 0.0 112.807 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -56.79 146.1 59.39 Favored Pre-proline 0 N--CA 1.473 0.713 0 C-N-CA 125.973 1.709 . . . . 0.0 111.928 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.1 -31.21 83.3 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.144 2.563 . . . . 0.0 113.429 -171.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.69 -35.98 81.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.135 0.974 . . . . 0.0 111.901 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 tp -72.14 -45.9 58.67 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.381 0.672 . . . . 0.0 111.815 169.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 tp -53.77 -39.96 65.82 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.016 0.526 . . . . 0.0 111.614 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -62.0 -34.29 75.92 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 174.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.19 -39.23 92.01 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.64 -0.663 . . . . 0.0 110.905 170.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.95 -41.68 90.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.124 0.57 . . . . 0.0 111.153 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -59.71 -32.25 70.35 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.439 -1.413 . . . . 0.0 112.982 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -65.16 -14.72 61.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.592 1.157 . . . . 0.0 113.573 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.32 22.39 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.316 1.847 . . . . 0.0 112.547 170.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.35 23.01 59.5 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 116.583 1.393 . . . . 0.0 116.583 169.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 120.1 9.97 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 118.97 1.385 . . . . 0.0 112.426 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -77.3 -51.95 10.02 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -169.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -71.73 173.42 8.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.432 1.893 . . . . 0.0 112.728 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -112.54 2.52 16.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.479 1.912 . . . . 0.0 115.308 168.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -136.57 137.4 40.16 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.448 1.899 . . . . 0.0 106.862 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -143.3 156.96 44.85 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.38 1.472 . . . . 0.0 114.564 -173.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -79.88 162.45 25.01 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 166.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.1 mmt -55.75 -37.14 68.11 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.738 -1.226 . . . . 0.0 112.926 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.467 ' HE2' ' SD ' ' A' ' 0' ' ' MET . 13.1 tptm -63.26 -44.79 94.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.565 1.146 . . . . 0.0 110.888 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -68.38 -42.96 78.33 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.514 1.126 . . . . 0.0 113.295 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.88 -49.29 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.557 0.617 . . . . 0.0 110.486 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.47 -41.53 85.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.809 0.731 . . . . 0.0 111.816 173.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.253 26.5 t80 -52.93 -58.69 6.11 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 171.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -60.18 -38.85 84.47 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.19 -44.34 88.73 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.205 1.002 . . . . 0.0 111.694 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.75 -41.71 98.83 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.557 -0.714 . . . . 0.0 112.741 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -60.86 -36.74 79.96 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.985 0.893 . . . . 0.0 112.759 171.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -64.88 -49.47 70.36 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.13 -40.05 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.356 1.062 . . . . 0.0 111.387 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.2 mtm -63.55 -55.63 22.37 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -64.39 -31.2 72.3 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -81.15 -14.88 57.21 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.586 1.554 . . . . 0.0 114.224 173.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? 52.37 46.72 26.14 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.788 2.035 . . . . 0.0 113.577 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -76.5 -12.49 60.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -67.25 151.2 47.93 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 117.24 2.311 . . . . 0.0 117.24 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -64.13 128.21 34.83 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.464 -0.773 . . . . 0.0 112.549 168.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -58.22 -30.26 66.35 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.293 -0.879 . . . . 0.0 113.247 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -80.15 -68.64 0.66 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.243 1.017 . . . . 0.0 110.983 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -96.42 85.29 3.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.051 0.94 . . . . 0.0 110.606 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.03 -14.35 62.81 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -74.07 0.04 15.01 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.382 1.073 . . . . 0.0 113.229 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.5 mt -114.61 125.11 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.382 1.473 . . . . 0.0 109.7 173.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.4 t -97.7 129.98 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.362 1.465 . . . . 0.0 111.665 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.298 55.3 m-85 -100.06 79.43 2.18 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.397 1.879 . . . . 0.0 115.397 177.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.441 ' HG ' ' CD2' ' A' ' 88' ' ' LEU . 4.6 m -69.93 -13.85 62.44 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.355 1.862 . . . . 0.0 113.827 -172.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.4 t -51.89 137.74 25.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.269 1.427 . . . . 0.0 113.631 -173.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 58.88 18.15 5.9 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.541 1.936 . . . . 0.0 115.779 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -120.33 167.05 12.71 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.199 1.4 . . . . 0.0 112.317 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.3 tp -51.04 -34.03 27.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.029 1.332 . . . . 0.0 112.09 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.441 ' CD2' ' HG ' ' A' ' 83' ' ' CYS . 27.1 tp -63.96 -36.54 84.28 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 174.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.42 -36.14 69.24 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.918 0.771 . . . . 0.0 112.361 174.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.78 -29.61 70.8 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 170.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.0 mt -75.22 -65.17 0.92 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.035 1.334 . . . . 0.0 112.172 170.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.286 30.0 m-85 -70.99 -19.34 62.54 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 -173.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.99 18.27 77.62 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.083 0.849 . . . . 0.0 114.553 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.0 m -139.11 153.81 71.76 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 125.912 1.685 . . . . 0.0 110.004 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.21 -25.53 26.39 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.235 2.623 . . . . 0.0 113.022 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.2 p -163.42 162.84 25.04 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.143 1.377 . . . . 0.0 112.801 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -152.3 158.67 43.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.477 1.111 . . . . 0.0 109.034 169.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 t -99.08 127.86 45.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.893 0.877 . . . . 0.0 112.105 174.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.02 -16.83 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 127.003 2.121 . . . . 0.0 113.514 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -56.47 -36.0 68.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.08 1.352 . . . . 0.0 112.64 170.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -89.77 101.63 14.32 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 122.583 1.183 . . . . 0.0 113.885 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -63.79 -62.5 1.61 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.324 1.45 . . . . 0.0 112.865 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -58.58 -41.68 86.29 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.523 1.129 . . . . 0.0 112.356 -174.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.77 -43.77 97.6 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.59 1.156 . . . . 0.0 111.939 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.8 mt -69.88 -46.99 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.529 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -56.09 -46.07 79.17 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 t -64.84 -37.27 87.05 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 175.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.44 -37.74 77.51 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.383 -0.823 . . . . 0.0 112.737 172.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.8 mmm -65.77 -40.4 92.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.868 0.758 . . . . 0.0 111.72 174.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.09 -35.01 77.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.548 -0.72 . . . . 0.0 112.294 173.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 m -68.25 -6.34 23.22 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 60.4 mtt -100.31 3.25 43.27 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.261 1.424 . . . . 0.0 113.647 173.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.344 1.3 p . . . . . 0 N--CA 1.477 0.92 0 C-N-CA 125.915 1.686 . . . . 0.0 115.07 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -68.81 -31.97 71.35 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -65.46 -19.87 66.12 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.434 -0.791 . . . . 0.0 112.555 173.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -90.0 -39.13 13.15 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 167.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -70.63 -33.84 71.44 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.396 1.078 . . . . 0.0 112.072 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 18.0 tp -58.46 -30.89 67.31 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.92 -1.112 . . . . 0.0 112.385 174.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.34 -28.86 69.59 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.628 1.571 . . . . 0.0 112.324 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.29 -53.6 41.58 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.302 0.641 . . . . 0.0 111.052 173.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.0 ptp -70.15 -23.55 63.02 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 . . . . . 0 CA--C 1.549 0.941 0 C-N-CA 125.891 1.676 . . . . 0.0 113.063 169.884 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.0 mt . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 m -97.89 -19.7 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -172.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 49.43 69.74 2.5 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 127.187 2.195 . . . . 0.0 113.159 -172.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.53 163.88 37.56 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.22 2.613 . . . . 0.0 113.86 -171.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 30.9 mtmt -58.32 149.62 58.1 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 124.632 1.173 . . . . 0.0 112.433 175.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -61.65 -31.43 86.56 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.773 2.315 . . . . 0.0 112.545 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.4 -35.68 79.98 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.358 1.063 . . . . 0.0 112.329 172.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.9 tp -76.05 -45.64 33.24 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.225 0.61 . . . . 0.0 111.474 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 tp -53.27 -39.9 64.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.057 0.943 . . . . 0.0 111.846 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -55.8 -42.13 75.17 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.611 1.165 . . . . 0.0 113.026 171.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.47 -41.95 88.23 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.145 0.978 . . . . 0.0 111.929 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.4 -42.36 98.78 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.412 0.625 . . . . 0.0 110.947 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -71.01 -22.44 62.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.582 1.153 . . . . 0.0 114.094 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.7 m -64.37 -21.32 66.59 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.784 0.833 . . . . 0.0 112.635 169.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.8 m -109.65 16.17 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.778 1.631 . . . . 0.0 113.112 168.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.37 30.82 39.68 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.986 1.279 . . . . 0.0 115.773 168.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.52 132.08 45.71 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 118.909 1.354 . . . . 0.0 111.118 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -81.51 -39.28 24.97 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -167.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -77.47 165.13 24.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.627 1.571 . . . . 0.0 114.928 -173.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -92.12 -15.64 27.43 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.124 1.769 . . . . 0.0 114.276 166.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.5 p -143.88 143.98 31.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.564 1.545 . . . . 0.0 109.352 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -140.61 163.85 31.75 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.034 1.734 . . . . 0.0 112.991 -169.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -86.41 165.96 15.92 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.318 1.447 . . . . 0.0 114.343 167.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.4 mtp -58.89 -41.06 86.24 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.879 -1.138 . . . . 0.0 112.523 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -63.56 -40.14 96.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.687 0.795 . . . . 0.0 112.49 174.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -68.27 -41.98 80.27 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.34 -47.32 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.04 -47.45 85.18 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.699 0.681 . . . . 0.0 111.105 175.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -51.76 -58.45 6.37 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -60.88 -37.31 81.73 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 tp -65.14 -43.63 91.23 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.199 1.0 . . . . 0.0 111.976 173.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.4 99.14 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.283 -0.886 . . . . 0.0 112.826 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.81 -36.57 79.4 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.85 -0.794 . . . . 0.0 112.352 171.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -64.53 -48.99 73.05 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.9 -38.44 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.497 1.119 . . . . 0.0 111.589 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 73.4 mtm -65.4 -54.53 27.4 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 173.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -63.85 -32.99 74.7 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -79.96 -17.25 53.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.939 1.696 . . . . 0.0 114.133 172.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 52.09 48.02 23.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.912 2.485 . . . . 0.0 113.143 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.7 mt -74.74 -11.02 60.06 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -176.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.282 13.4 p90 -68.14 151.44 47.0 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 173.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.12 132.05 52.49 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 172.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -60.67 -26.36 67.04 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.226 -0.921 . . . . 0.0 113.352 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -83.96 -69.0 0.67 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.619 1.168 . . . . 0.0 110.932 170.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -92.23 82.6 5.0 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.503 1.121 . . . . 0.0 111.002 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -69.63 -5.81 27.17 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -89.22 3.65 51.28 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.304 1.441 . . . . 0.0 113.582 169.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.53 125.17 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.686 1.594 . . . . 0.0 110.115 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 t -91.25 135.35 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.778 1.631 . . . . 0.0 112.56 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.28 64.1 m-85 -112.66 64.75 0.63 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.036 2.134 . . . . 0.0 114.867 176.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.3 p -68.71 -3.58 12.68 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 -172.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -50.34 145.54 6.15 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.329 1.852 . . . . 0.0 114.877 -176.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 57.3 27.85 14.33 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.49 1.916 . . . . 0.0 115.358 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -145.51 174.87 10.78 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.723 1.209 . . . . 0.0 108.629 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.8 tp -53.14 -39.38 63.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.762 1.625 . . . . 0.0 113.109 -175.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.9 -35.83 72.47 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.42 -37.69 94.8 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.654 -0.654 . . . . 0.0 112.178 171.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.06 -32.67 74.49 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 170.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.01 -56.68 5.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.872 1.269 . . . . 0.0 112.318 172.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -68.67 -27.58 66.11 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.4 16.4 80.64 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.095 0.855 . . . . 0.0 114.618 -176.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 m -139.95 152.77 68.58 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 125.729 1.611 . . . . 0.0 109.771 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -73.8 -25.35 14.59 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.398 2.732 . . . . 0.0 113.665 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.5 p -163.44 161.44 24.28 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.497 1.119 . . . . 0.0 113.141 -176.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -159.94 153.73 22.86 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.866 1.266 . . . . 0.0 110.037 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.6 t -86.39 130.37 34.53 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.22 -0.925 . . . . 0.0 111.299 170.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.44 -24.35 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.912 0.885 . . . . 0.0 112.467 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.12 -22.17 66.68 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.498 1.519 . . . . 0.0 114.031 174.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -79.14 49.09 0.92 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.945 1.698 . . . . 0.0 112.032 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -50.6 -47.71 58.03 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.682 1.193 . . . . 0.0 113.467 -169.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.16 -40.62 81.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.884 1.274 . . . . 0.0 112.463 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.98 -42.9 65.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.815 1.246 . . . . 0.0 111.53 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.8 mt -58.88 -44.37 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.125 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -62.21 -46.67 87.85 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.53 1.059 . . . . 0.0 112.291 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.3 0.7 OUTLIER -64.88 -34.18 77.78 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 178.304 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 64.7 mtm -69.24 -46.65 66.81 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.78 -0.575 . . . . 0.0 111.966 169.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -72.4 -21.57 61.25 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.326 -0.859 . . . . 0.0 112.511 -175.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.4 -26.34 67.79 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.297 -0.877 . . . . 0.0 112.696 169.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.5 p -73.39 -5.03 37.17 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.932 -1.105 . . . . 0.0 113.612 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.453 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 35.7 mtt -92.5 -5.14 52.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.294 1.438 . . . . 0.0 112.568 169.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.255 1.5 p . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 127.503 2.321 . . . . 0.0 114.843 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 41.8 t80 . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.96 -27.22 64.56 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.22 -45.55 92.83 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.534 -0.729 . . . . 0.0 111.03 170.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -64.07 -38.15 90.03 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 168.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -68.01 -37.18 81.12 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.016 0.526 . . . . 0.0 111.195 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.54 -45.55 92.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.237 1.015 . . . . 0.0 111.227 169.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -57.75 -36.79 72.58 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.014 1.326 . . . . 0.0 111.789 175.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -59.8 4.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.199 1.4 . . . . 0.0 112.142 175.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -82.22 -14.62 55.26 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 . . . . . 0 CA--C 1.545 0.763 0 O-C-N 121.197 -0.939 . . . . 0.0 111.191 167.499 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 121.621 0.724 . . . . 0.0 112.65 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.3 m -122.05 161.03 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 127.739 2.416 . . . . 0.0 112.409 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -108.42 88.78 5.3 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 124.454 1.102 . . . . 0.0 111.423 173.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -65.92 156.58 63.6 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.438 2.092 . . . . 0.0 112.589 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -55.4 148.34 33.38 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.076 0.95 . . . . 0.0 112.315 174.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -60.95 -31.06 91.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.844 2.363 . . . . 0.0 113.196 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.4 tp -66.28 -37.96 86.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.91 0.884 . . . . 0.0 112.53 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.5 tp -71.61 -44.79 63.78 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.949 0.9 . . . . 0.0 110.991 172.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.8 tp -56.67 -40.0 74.75 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.793 -0.567 . . . . 0.0 112.012 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.67 -37.02 77.65 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.456 -0.777 . . . . 0.0 112.826 172.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.57 -36.28 82.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.076 0.95 . . . . 0.0 112.175 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.8 -42.65 90.46 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.174 -0.954 . . . . 0.0 111.309 170.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -65.17 -23.07 67.0 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.076 1.509 . . . . 0.0 115.076 172.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 m -65.28 -16.83 63.98 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.958 0.799 . . . . 0.0 113.041 170.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.28 16.86 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.183 1.793 . . . . 0.0 112.843 168.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.53 22.22 58.8 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.416 1.326 . . . . 0.0 116.416 168.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.61 119.49 12.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.136 1.468 . . . . 0.0 111.498 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -71.51 -47.42 55.47 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -168.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -71.84 175.77 5.51 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.833 1.653 . . . . 0.0 113.27 -173.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -117.7 5.48 12.32 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.547 1.939 . . . . 0.0 114.898 168.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.27 138.81 35.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.132 2.173 . . . . 0.0 106.533 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -149.78 154.7 38.88 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -169.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -76.02 159.29 30.97 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.172 0.896 . . . . 0.0 112.966 165.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.8 mmt -57.85 -37.69 74.35 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 120.521 -1.362 . . . . 0.0 113.277 174.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -65.77 -39.99 91.57 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.421 1.088 . . . . 0.0 111.59 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.93 -46.04 83.28 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.414 1.007 . . . . 0.0 113.133 174.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.29 -50.31 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 118.589 0.632 . . . . 0.0 110.391 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.3 mt -59.72 -44.07 93.91 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.551 -0.737 . . . . 0.0 111.926 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -51.1 -56.04 14.65 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 173.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -60.69 -40.4 92.04 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 tp -63.44 -44.01 95.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.306 1.042 . . . . 0.0 111.94 173.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.9 97.82 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 121.368 -0.833 . . . . 0.0 112.504 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.97 -31.57 72.71 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.05 0.925 . . . . 0.0 112.583 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -66.98 -51.19 58.17 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 171.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.37 -40.51 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.918 1.287 . . . . 0.0 111.199 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.2 ttm -62.12 -56.67 16.49 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.251 1.42 . . . . 0.0 112.086 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -65.8 -33.69 76.43 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -77.83 -14.52 59.55 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.025 1.73 . . . . 0.0 113.846 172.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 52.88 45.27 29.1 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.591 2.356 . . . . 0.0 113.464 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.54 -10.07 59.19 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -62.63 148.88 44.97 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -67.82 129.84 41.14 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.17 -0.956 . . . . 0.0 112.106 167.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -59.49 -29.83 68.12 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.133 -0.979 . . . . 0.0 113.132 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -81.42 -62.34 1.68 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.057 0.943 . . . . 0.0 110.741 173.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -99.75 81.48 2.47 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.216 1.406 . . . . 0.0 110.487 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -66.94 -14.52 62.9 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.939 -1.101 . . . . 0.0 113.705 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -75.94 0.59 17.85 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.544 1.138 . . . . 0.0 113.185 169.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.8 mt -119.13 132.62 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.541 1.936 . . . . 0.0 110.103 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.6 t -110.54 127.57 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 126.114 1.766 . . . . 0.0 110.873 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.278 58.2 m-85 -98.09 71.42 2.13 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.673 1.989 . . . . 0.0 115.599 178.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.2 p -67.76 -4.02 11.15 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t -46.22 131.0 10.49 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.937 1.695 . . . . 0.0 113.751 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 59.92 0.12 0.25 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.22 168.56 13.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.632 1.173 . . . . 0.0 111.824 171.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.4 tp -51.04 -42.32 60.4 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.382 1.073 . . . . 0.0 111.236 168.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.42 -33.96 75.82 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.14 -29.49 73.0 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 123.701 0.667 . . . . 0.0 113.479 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.78 -28.31 62.52 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 171.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.15 -57.66 3.74 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.931 0.892 . . . . 0.0 111.875 170.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.302 23.9 m-85 -68.49 -25.53 65.02 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 117.458 2.392 . . . . 0.0 117.458 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.15 18.76 78.16 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.091 0.853 . . . . 0.0 114.82 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.44 155.66 69.85 Favored Pre-proline 0 N--CA 1.479 0.98 0 C-N-CA 125.902 1.681 . . . . 0.0 109.936 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.85 -26.04 22.9 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.119 2.546 . . . . 0.0 113.305 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.7 p -160.87 161.94 31.98 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.568 1.147 . . . . 0.0 112.804 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -150.76 157.25 42.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.822 1.249 . . . . 0.0 107.846 172.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.5 p -99.56 135.8 40.44 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.255 -0.903 . . . . 0.0 112.105 172.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.94 -30.28 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.348 1.059 . . . . 0.0 113.168 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -61.43 -32.15 72.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.147 1.379 . . . . 0.0 112.649 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -81.38 71.23 8.38 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 124.037 1.875 . . . . 0.0 112.585 170.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -56.61 -48.19 78.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.58 -2.1 . . . . 0.0 111.284 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -57.27 -38.32 73.71 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.799 1.64 . . . . 0.0 113.413 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -68.72 -40.65 79.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.375 1.07 . . . . 0.0 110.888 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.59 -52.04 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 119.239 -0.41 . . . . 0.0 110.414 171.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -53.45 -44.52 68.96 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.254 1.2 t -63.91 -36.41 83.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 173.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 76.9 mtm -71.32 -40.0 71.04 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.492 -0.755 . . . . 0.0 112.7 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.2 mmm -65.31 -33.86 76.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.312 1.045 . . . . 0.0 112.122 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.25 85.26 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.312 0.645 . . . . 0.0 111.998 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.5 m -66.93 -19.16 65.68 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 40.7 mtt -83.97 -5.31 59.2 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.26 1.0 OUTLIER . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 118.74 2.866 . . . . 0.0 118.74 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -66.06 -39.33 90.0 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -168.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -65.82 -13.17 58.99 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -86.54 -46.76 9.85 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 167.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -67.02 -31.02 71.28 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.229 1.012 . . . . 0.0 112.189 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.78 -29.96 63.16 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.123 -0.985 . . . . 0.0 112.487 172.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -70.98 -24.57 62.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.432 1.093 . . . . 0.0 113.076 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.05 -50.13 67.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.336 0.516 . . . . 0.0 111.372 169.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.5 ptp -73.23 -30.55 63.56 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.437 0.562 . . . . 0.0 111.873 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 N--CA 1.473 0.704 0 C-N-CA 124.589 1.156 . . . . 0.0 111.678 171.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 m -133.86 158.87 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 127.723 2.409 . . . . 0.0 111.746 169.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.72 92.98 26.52 Favored Pre-proline 0 N--CA 1.472 0.641 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 169.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.31 173.31 10.76 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.319 2.679 . . . . 0.0 113.972 -173.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 19.0 ptpt -60.65 150.92 73.59 Favored Pre-proline 0 N--CA 1.481 1.086 0 C-N-CA 124.181 0.992 . . . . 0.0 111.934 173.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -63.85 -28.33 67.48 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.936 2.424 . . . . 0.0 114.144 -175.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.92 -35.01 77.14 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.815 0.734 . . . . 0.0 112.197 171.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 tp -76.31 -43.45 41.28 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 122.863 0.465 . . . . 0.0 110.441 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.81 -42.99 76.47 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.388 0.54 . . . . 0.0 111.864 172.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -57.83 -42.68 84.85 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.146 0.978 . . . . 0.0 112.52 171.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.96 -42.2 85.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.144 0.978 . . . . 0.0 111.701 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.2 mt -64.44 -41.96 96.26 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.417 1.087 . . . . 0.0 110.498 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.64 -22.78 62.47 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.9 m -64.19 -20.24 65.88 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.9 m -110.52 15.62 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.916 1.686 . . . . 0.0 113.232 168.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.93 29.31 34.94 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.042 1.306 . . . . 0.0 115.893 168.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.51 138.08 53.05 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.203 1.501 . . . . 0.0 111.214 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -102.08 -13.03 17.67 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 116.272 1.952 . . . . 0.0 116.272 -167.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -91.94 163.01 14.17 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.528 1.131 . . . . 0.0 112.806 -169.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -97.61 -5.03 36.38 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.967 1.707 . . . . 0.0 115.35 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -152.37 150.13 29.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.42 1.888 . . . . 0.0 106.104 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.39 149.77 43.06 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -171.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.255 0.7 OUTLIER -77.1 155.14 32.63 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 166.128 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 84.2 mmm -59.12 -34.05 71.58 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.78 -1.2 . . . . 0.0 112.464 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -73.8 -35.24 64.88 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.863 0.865 . . . . 0.0 112.789 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -62.46 -43.96 97.55 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.113 0.87 . . . . 0.0 112.397 169.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.58 -50.76 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.859 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -55.16 -45.23 75.68 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.415 1.007 . . . . 0.0 111.929 175.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -53.88 -57.37 11.17 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 173.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -63.94 -40.36 96.28 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.97 -42.21 97.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.885 1.274 . . . . 0.0 111.427 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.16 -44.87 97.58 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 123.35 0.5 . . . . 0.0 112.423 173.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -62.89 -32.76 74.09 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.774 1.23 . . . . 0.0 112.545 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -65.88 -54.32 28.12 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 171.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.32 -39.12 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.488 1.115 . . . . 0.0 111.14 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.9 ttm -61.9 -57.42 11.82 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.582 1.553 . . . . 0.0 112.03 173.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.33 -35.18 79.72 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -74.8 -14.25 60.67 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.798 1.639 . . . . 0.0 113.367 172.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 53.16 45.81 27.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.105 2.162 . . . . 0.0 113.641 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.1 mt -78.11 -5.19 50.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.49 1.116 . . . . 0.0 113.982 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -69.32 147.5 51.04 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -64.28 133.67 53.19 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -66.81 -26.97 67.19 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.146 -0.971 . . . . 0.0 113.243 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -84.0 -54.54 4.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.914 1.286 . . . . 0.0 111.56 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.12 100.39 9.94 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.837 1.255 . . . . 0.0 111.385 172.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -60.3 -21.79 62.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.836 0.854 . . . . 0.0 113.25 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -87.32 -2.38 58.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.881 1.673 . . . . 0.0 113.998 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.96 135.71 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 119.956 1.253 . . . . 0.0 109.841 174.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 p -114.98 135.46 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.211 1.404 . . . . 0.0 110.361 176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.256 46.0 m-85 -99.53 97.54 8.53 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.162 1.785 . . . . 0.0 115.05 174.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.5 m -77.65 -21.51 52.06 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.181 1.393 . . . . 0.0 112.409 -176.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.0 p -58.89 150.69 23.53 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.954 1.301 . . . . 0.0 113.543 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 59.14 17.34 5.52 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.96 1.704 . . . . 0.0 115.114 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -137.37 165.76 25.45 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.571 1.548 . . . . 0.0 112.162 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.1 tp -49.37 -36.58 22.04 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.301 1.44 . . . . 0.0 112.204 169.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.0 tp -55.03 -35.18 64.17 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.16 -32.52 84.21 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.048 0.833 . . . . 0.0 113.57 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.01 -26.12 61.21 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.83 -60.44 2.23 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.811 0.845 . . . . 0.0 111.302 169.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.284 44.2 m-85 -74.74 -24.0 58.65 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 118.54 2.792 . . . . 0.0 118.54 -173.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.86 15.91 74.17 Favored Glycine 0 CA--C 1.54 1.626 0 N-CA-C 114.79 0.676 . . . . 0.0 114.79 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.44 153.9 74.87 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 126.28 1.832 . . . . 0.0 109.011 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.47 -28.07 22.3 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.223 2.615 . . . . 0.0 113.334 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.2 p -166.09 162.7 17.96 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.253 1.421 . . . . 0.0 112.185 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -154.76 159.23 40.51 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.224 0.61 . . . . 0.0 111.977 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.9 t -87.15 125.8 34.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.518 0.727 . . . . 0.0 110.415 168.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.0 -22.84 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.952 1.701 . . . . 0.0 112.386 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -69.42 -12.88 62.03 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 171.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -77.1 49.76 0.7 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.739 1.215 . . . . 0.0 111.588 173.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -53.27 -43.59 67.57 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.708 1.203 . . . . 0.0 112.692 -169.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -58.93 -34.61 71.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.478 1.111 . . . . 0.0 113.806 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -75.58 -45.99 34.49 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.37 1.068 . . . . 0.0 110.763 173.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.47 -42.83 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.278 0.631 . . . . 0.0 110.831 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -57.57 -44.9 85.65 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.311 1.0 OUTLIER -67.34 -34.91 78.31 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 173.293 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.1 mtm -65.8 -40.07 91.56 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.225 -0.922 . . . . 0.0 112.378 170.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.5 mmm -65.34 -40.83 94.16 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.102 0.961 . . . . 0.0 111.892 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.22 81.64 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.602 0.761 . . . . 0.0 112.542 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.2 t -60.92 -34.83 75.29 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.089 -1.007 . . . . 0.0 112.637 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.41 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 35.1 mtt -69.08 -9.69 53.87 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -179.311 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 118.648 2.833 . . . . 0.0 118.648 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -61.42 -30.36 70.52 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.52 -19.63 65.83 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.108 -0.995 . . . . 0.0 113.299 176.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -87.43 -43.43 12.09 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 167.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -65.68 -34.48 78.3 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.497 1.119 . . . . 0.0 112.042 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.14 -32.91 64.7 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.195 0.998 . . . . 0.0 112.69 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -72.38 -20.26 61.48 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.593 1.157 . . . . 0.0 112.877 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.58 -47.07 80.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.229 0.468 . . . . 0.0 110.347 168.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 19.0 mtm -76.88 -35.71 57.24 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.323 0.649 . . . . 0.0 111.973 -174.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 N--CA 1.476 0.837 0 C-N-CA 124.422 1.089 . . . . 0.0 113.468 169.341 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.8 -21.44 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -175.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 51.79 83.29 0.23 Allowed Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 127.513 2.325 . . . . 0.0 112.713 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.63 163.2 33.83 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.83 2.353 . . . . 0.0 113.262 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -54.14 142.12 48.38 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.831 2.052 . . . . 0.0 111.576 172.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -55.4 -34.1 87.92 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.102 2.535 . . . . 0.0 114.963 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.4 -34.36 77.78 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.84 0.856 . . . . 0.0 112.874 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.4 tp -74.44 -42.85 58.41 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.14 0.976 . . . . 0.0 110.912 172.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.8 tp -56.59 -37.87 71.23 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.6 0.76 . . . . 0.0 112.297 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -60.25 -36.6 78.15 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.567 1.147 . . . . 0.0 112.956 171.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -47.06 86.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.247 1.019 . . . . 0.0 110.459 173.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.79 -40.69 97.27 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.505 -0.747 . . . . 0.0 111.531 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -70.7 -20.73 62.65 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 176.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.0 m -66.42 -17.88 65.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.739 0.815 . . . . 0.0 112.374 168.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.6 m -113.99 15.98 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.153 1.781 . . . . 0.0 113.268 168.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.93 25.24 46.04 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 116.959 1.544 . . . . 0.0 116.959 168.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.0 119.11 10.15 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.418 1.609 . . . . 0.0 111.255 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -75.29 -43.39 51.38 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -167.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -68.84 174.33 4.49 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.815 1.646 . . . . 0.0 113.003 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -112.37 1.54 16.07 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.498 1.919 . . . . 0.0 115.763 169.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -138.29 140.32 39.53 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.1 1.76 . . . . 0.0 106.961 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -143.81 155.58 44.19 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -171.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -85.48 159.79 19.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.519 1.128 . . . . 0.0 114.006 167.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.6 mtp -57.69 -36.79 72.44 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.046 1.294 . . . . 0.0 112.8 176.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.46 -42.31 92.46 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.914 1.286 . . . . 0.0 111.592 172.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.58 -41.66 92.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.252 0.933 . . . . 0.0 113.207 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.71 -51.91 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.858 0.863 . . . . 0.0 109.996 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.1 mt -58.48 -43.83 89.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.476 0.71 . . . . 0.0 111.346 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -52.63 -55.72 20.46 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 175.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -64.16 -38.43 91.03 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 175.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -64.44 -40.78 96.38 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.066 0.946 . . . . 0.0 111.553 173.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.66 -43.34 99.39 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 121.616 -0.677 . . . . 0.0 112.235 172.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -61.39 -33.9 74.44 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.363 1.082 . . . . 0.0 113.273 171.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -67.68 -50.34 58.2 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.8 mt -60.63 -38.58 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.509 1.124 . . . . 0.0 111.13 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 44.2 ttm -61.61 -58.22 8.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.288 1.435 . . . . 0.0 111.966 172.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -64.99 -32.5 74.26 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -177.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -81.72 -14.51 56.43 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.809 1.644 . . . . 0.0 114.232 173.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 51.88 48.4 22.87 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.135 2.174 . . . . 0.0 113.513 -174.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.86 -8.12 56.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -64.49 147.92 51.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 172.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -60.33 130.71 47.99 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 171.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.47 -26.17 65.03 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -87.11 -68.95 0.71 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.714 1.206 . . . . 0.0 111.813 170.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -88.8 99.76 12.62 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.672 0.789 . . . . 0.0 111.402 -177.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -64.67 -19.66 65.85 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.506 -0.746 . . . . 0.0 112.424 -175.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -89.51 10.35 23.16 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.198 1.799 . . . . 0.0 114.223 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.0 mt -126.0 136.2 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.996 1.271 . . . . 0.0 109.906 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.09 139.8 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.919 1.688 . . . . 0.0 112.986 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -122.6 125.92 46.65 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.064 2.146 . . . . 0.0 114.455 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.5 t -158.68 106.44 1.88 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.85 0.86 . . . . 0.0 110.395 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.2 p -121.48 151.45 40.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.563 1.545 . . . . 0.0 111.59 169.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.79 25.63 8.6 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.728 1.611 . . . . 0.0 115.214 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -143.65 168.68 19.31 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.721 1.608 . . . . 0.0 108.754 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.1 tp -50.06 -51.05 45.63 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.66 1.584 . . . . 0.0 114.742 -168.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.51 -34.03 77.31 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.267 0.94 . . . . 0.0 113.444 -175.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.77 -33.79 86.44 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 123.598 0.618 . . . . 0.0 112.848 171.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -71.79 -30.46 65.56 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 171.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.25 -56.87 6.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.394 0.677 . . . . 0.0 111.662 169.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.281 32.6 m-85 -69.17 -26.05 64.66 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 117.526 2.417 . . . . 0.0 117.526 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.36 16.18 77.24 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.905 0.764 . . . . 0.0 114.431 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.68 151.09 62.3 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 126.236 1.814 . . . . 0.0 109.16 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.8 -22.11 24.06 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.557 2.838 . . . . 0.0 113.314 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.3 p -161.05 160.92 31.09 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.931 1.292 . . . . 0.0 112.879 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -157.22 155.95 31.74 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.165 0.986 . . . . 0.0 110.471 173.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -87.33 128.43 35.18 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.125 0.97 . . . . 0.0 112.167 170.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.81 -37.23 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.627 1.571 . . . . 0.0 112.514 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.33 -24.87 62.19 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.544 1.138 . . . . 0.0 113.024 -178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -77.7 56.5 1.49 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.221 1.408 . . . . 0.0 111.514 172.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -49.98 -40.35 43.85 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.398 1.479 . . . . 0.0 114.293 -168.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -50.42 -42.35 53.71 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.299 1.44 . . . . 0.0 114.132 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -73.28 -31.11 63.87 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.569 1.148 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.7 mt -72.11 -45.97 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.825 -0.547 . . . . 0.0 110.821 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -56.12 -46.33 79.2 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.4 t -61.63 -38.05 86.22 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 174.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 74.2 mtm -72.73 -43.23 63.21 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.335 0.654 . . . . 0.0 112.037 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.1 mmm -63.41 -40.22 96.61 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.956 0.902 . . . . 0.0 111.728 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.23 86.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.037 0.535 . . . . 0.0 111.919 173.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.5 m -70.76 -11.56 61.02 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 40.0 mtt -84.84 -4.18 58.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.241 1.016 . . . . 0.0 113.699 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.251 1.1 p . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -176.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -63.97 -27.07 68.88 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -65.98 -36.18 82.62 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.011 -1.056 . . . . 0.0 111.697 173.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -68.0 -40.02 83.1 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 168.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -73.42 -36.59 66.0 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.972 0.509 . . . . 0.0 112.057 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 19.4 tp -59.85 -31.26 69.6 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.459 -1.401 . . . . 0.0 112.182 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -67.38 -18.68 65.23 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.609 1.563 . . . . 0.0 112.884 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.4 mt -75.32 -49.59 18.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.394 1.078 . . . . 0.0 111.727 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.2 ptp -72.04 -23.57 61.4 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.825 0.739 . . . . 0.0 111.926 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 . . . . . 0 CA--C 1.546 0.82 0 C-N-CA 125.962 1.705 . . . . 0.0 111.487 167.442 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 121.521 0.676 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.7 m -126.81 159.42 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 127.459 2.304 . . . . 0.0 112.281 169.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.97 90.86 5.71 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 124.663 1.185 . . . . 0.0 110.078 172.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.56 145.62 87.67 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.685 2.256 . . . . 0.0 111.857 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 15.7 ptpt -61.87 157.71 48.16 Favored Pre-proline 0 N--CA 1.479 1.014 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.925 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -54.67 -37.44 91.32 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.127 2.551 . . . . 0.0 115.255 -172.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.31 -44.14 97.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.574 0.749 . . . . 0.0 112.216 175.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.1 tp -70.35 -46.38 64.24 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 123.499 0.72 . . . . 0.0 110.157 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.2 tp -56.68 -42.27 78.75 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.819 -0.55 . . . . 0.0 112.098 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -62.0 -39.26 91.62 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.0 112.823 171.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.93 -42.94 94.25 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.103 0.961 . . . . 0.0 111.485 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.87 -46.16 86.19 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.546 1.138 . . . . 0.0 110.671 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -66.59 -22.99 66.13 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.5 m -64.03 -19.2 65.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.967 0.803 . . . . 0.0 113.127 170.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.7 m -113.41 19.8 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.805 1.642 . . . . 0.0 112.911 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.02 34.78 32.56 Favored Glycine 0 CA--C 1.532 1.141 0 N-CA-C 116.031 1.172 . . . . 0.0 116.031 168.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.33 -21.24 64.76 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 118.966 1.383 . . . . 0.0 114.077 -177.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 65.71 -47.4 0.39 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 129.222 3.009 . . . . 0.0 117.769 170.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -69.12 173.06 5.92 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.151 1.38 . . . . 0.0 113.714 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -101.66 -10.11 20.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.708 1.603 . . . . 0.0 114.659 169.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -146.4 143.85 29.33 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.998 1.719 . . . . 0.0 106.984 -171.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -147.56 154.9 41.29 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -168.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -76.42 157.22 32.47 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 165.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.8 mmm -60.53 -30.72 69.92 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.488 -1.382 . . . . 0.0 112.946 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -66.32 -44.36 83.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.608 1.163 . . . . 0.0 111.224 173.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.57 -42.57 95.54 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.187 0.995 . . . . 0.0 112.765 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.13 -49.77 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 118.568 -0.729 . . . . 0.0 109.46 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.4 mt -60.04 -43.28 95.45 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.27 0.941 . . . . 0.0 111.756 176.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.87 -56.7 17.44 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -65.55 -38.73 90.44 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.69 -45.71 92.82 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.305 1.042 . . . . 0.0 111.174 173.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.02 99.98 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 123.624 0.63 . . . . 0.0 113.271 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -64.95 -32.97 74.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.934 1.294 . . . . 0.0 112.51 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -65.91 -50.47 64.35 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 170.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.68 -39.92 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.756 1.222 . . . . 0.0 111.099 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.8 ttm -62.95 -58.74 6.32 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.707 1.603 . . . . 0.0 112.073 173.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.35 -33.36 75.56 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -174.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.17 -1.03 42.98 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.208 1.403 . . . . 0.0 113.785 171.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 53.07 38.4 27.27 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 127.598 2.359 . . . . 0.0 113.339 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.4 mt -71.19 -10.35 59.6 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -172.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -66.88 146.96 53.85 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 169.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -66.62 130.85 44.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 -59.18 -26.92 65.21 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -84.05 -65.14 1.04 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.362 1.065 . . . . 0.0 111.39 172.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -99.86 88.14 3.7 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.223 1.009 . . . . 0.0 110.655 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -67.17 -11.51 57.52 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -82.53 -0.19 45.48 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.123 1.369 . . . . 0.0 113.634 169.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.0 mt -111.83 126.0 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.418 1.487 . . . . 0.0 109.661 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.1 t -97.29 131.59 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.591 1.556 . . . . 0.0 109.71 175.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -98.62 134.34 41.69 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.71 1.604 . . . . 0.0 114.043 168.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.1 p -145.3 18.85 1.56 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -169.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 p -59.3 105.39 0.34 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.687 1.195 . . . . 0.0 113.315 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.27 0.9 OUTLIER 53.36 13.79 0.47 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 128.919 2.888 . . . . 0.0 117.734 176.25 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.312 11.3 p30 -99.27 59.37 1.13 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.87 1.668 . . . . 0.0 114.662 175.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.8 tp 62.86 -53.38 0.17 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 128.859 2.864 . . . . 0.0 114.727 -172.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.11 -34.0 74.27 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -172.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.71 -24.97 74.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 121.523 -0.736 . . . . 0.0 114.201 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -71.15 -27.98 63.94 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.736 1.268 . . . . 0.0 113.871 170.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.34 -59.46 2.77 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.175 0.99 . . . . 0.0 112.077 169.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.314 32.5 m-85 -69.26 -21.64 63.89 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.39 16.68 80.47 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.366 0.984 . . . . 0.0 114.906 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 m -143.26 154.96 61.51 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 125.789 1.636 . . . . 0.0 110.164 -175.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.88 -21.26 16.34 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.833 3.022 . . . . 0.0 113.63 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.9 p -164.61 161.75 21.15 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.59 1.556 . . . . 0.0 111.865 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -155.33 154.7 32.46 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.018 0.927 . . . . 0.0 111.164 172.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.6 t -87.13 127.79 35.13 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.591 -0.693 . . . . 0.0 111.351 169.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.22 -22.69 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.793 1.637 . . . . 0.0 112.815 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.93 -22.69 66.95 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.314 1.446 . . . . 0.0 113.831 173.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -81.9 52.29 1.92 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.302 1.441 . . . . 0.0 111.961 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -50.71 -46.65 59.04 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.623 1.569 . . . . 0.0 114.514 -169.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -69.17 -30.06 68.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -72.8 -44.74 61.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.415 0.686 . . . . 0.0 110.384 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.9 mt -56.98 -46.44 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.382 174.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -49.67 -50.67 42.62 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.29 1.0 OUTLIER -67.12 -38.02 84.88 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.308 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.7 mtm -67.26 -38.35 84.99 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.597 -0.69 . . . . 0.0 112.001 174.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -80.21 -30.73 38.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.574 1.15 . . . . 0.0 112.212 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.15 77.36 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.137 -0.977 . . . . 0.0 111.381 169.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.2 m -67.68 -5.44 15.88 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 173.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.406 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 44.8 mtt -89.61 -13.8 36.38 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.399 1.079 . . . . 0.0 113.557 170.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -172.201 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 19.2 t80 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -66.31 -27.93 68.29 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.16 -36.63 84.84 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.957 -1.089 . . . . 0.0 112.075 173.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -69.94 -41.16 74.94 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -71.88 -35.24 69.7 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.902 0.881 . . . . 0.0 111.941 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 17.3 tp -62.07 -30.63 71.13 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.647 -1.283 . . . . 0.0 112.181 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -68.29 -16.3 63.9 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.623 1.169 . . . . 0.0 113.178 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.31 -56.78 5.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.345 0.658 . . . . 0.0 109.896 167.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.2 ptp -71.95 -24.0 61.54 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -174.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 125.69 1.596 . . . . 0.0 113.617 173.17 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 CA--C 1.541 0.617 0 CA-C-O 120.721 0.296 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 m -106.54 -24.68 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 47.02 74.36 0.83 Allowed Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.211 2.204 . . . . 0.0 112.754 -172.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.38 170.1 20.71 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.164 2.576 . . . . 0.0 112.99 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -58.5 148.93 63.49 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 123.931 0.892 . . . . 0.0 112.219 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -62.6 -25.77 75.56 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.029 2.486 . . . . 0.0 113.582 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 tp -61.12 -35.74 77.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.921 0.888 . . . . 0.0 112.264 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -77.26 -41.06 42.49 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.154 0.582 . . . . 0.0 111.714 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.3 tp -53.93 -40.28 66.62 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.978 0.511 . . . . 0.0 111.537 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.52 -40.56 91.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.898 0.879 . . . . 0.0 113.078 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.68 -43.71 92.67 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.02 0.928 . . . . 0.0 111.987 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.79 -42.24 95.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.53 0.732 . . . . 0.0 110.501 177.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -70.12 -21.25 63.13 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.609 -1.307 . . . . 0.0 114.41 176.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.6 m -64.36 -21.07 66.5 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.951 0.796 . . . . 0.0 112.842 169.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 m -108.43 15.69 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 125.841 1.657 . . . . 0.0 113.335 168.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.25 33.49 39.84 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.845 1.212 . . . . 0.0 114.78 170.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.49 135.9 54.9 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 118.67 1.235 . . . . 0.0 110.681 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -83.46 -3.66 57.8 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.249 2.685 . . . . 0.0 118.249 -165.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -130.37 175.57 8.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.381 1.472 . . . . 0.0 113.714 -169.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -107.2 -1.02 22.27 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.225 1.81 . . . . 0.0 115.293 168.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 p -143.4 144.22 31.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.524 1.93 . . . . 0.0 107.038 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -145.36 157.48 44.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.909 1.284 . . . . 0.0 113.981 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -83.47 161.13 21.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.441 1.096 . . . . 0.0 113.714 167.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 29.5 mtp -58.4 -35.58 72.24 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.789 -1.194 . . . . 0.0 112.801 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -65.09 -45.53 84.83 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.493 1.117 . . . . 0.0 111.283 174.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.9 -41.27 95.73 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.106 0.962 . . . . 0.0 112.911 177.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.34 -48.13 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.425 -0.798 . . . . 0.0 109.642 175.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.3 mt -58.31 -45.59 87.72 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.644 1.111 . . . . 0.0 111.303 175.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -53.82 -52.6 59.84 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 116.307 1.965 . . . . 0.0 116.307 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -71.96 -34.6 69.12 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.8 tp -65.24 -41.57 94.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.185 0.994 . . . . 0.0 111.569 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.1 99.74 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 121.614 -0.679 . . . . 0.0 112.621 172.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -62.07 -35.67 79.35 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.129 0.964 . . . . 0.0 113.329 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -66.21 -48.28 71.12 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.519 0.6 . . . . 0.0 112.405 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.7 mt -60.2 -38.64 78.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.262 1.025 . . . . 0.0 111.433 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.9 mtm -63.6 -56.49 15.48 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 172.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -63.13 -32.53 73.94 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -80.73 -17.94 49.42 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.79 1.636 . . . . 0.0 114.467 173.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 50.96 49.83 20.35 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.013 2.125 . . . . 0.0 113.296 -172.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.9 mt -73.79 -10.38 59.61 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -66.68 151.51 47.24 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 173.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.69 134.21 53.75 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 170.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -65.43 -27.86 68.82 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -81.42 -45.19 16.42 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.177 0.991 . . . . 0.0 111.587 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -129.67 100.28 5.45 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.126 1.37 . . . . 0.0 112.722 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -66.12 -15.7 63.33 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -73.94 -2.63 24.81 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 172.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.7 mt -116.82 135.16 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.642 1.577 . . . . 0.0 109.632 177.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.78 134.64 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.72 1.608 . . . . 0.0 110.538 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.277 65.1 m-85 -109.71 65.1 0.61 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 127.248 2.219 . . . . 0.0 115.374 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 p -70.88 -0.86 10.06 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 -172.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.4 t -51.82 143.7 12.71 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.316 1.846 . . . . 0.0 114.819 -175.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 56.08 26.74 10.46 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.459 1.904 . . . . 0.0 115.029 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -143.46 173.45 11.62 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.95 1.3 . . . . 0.0 108.624 -178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.3 tp -54.74 -40.52 69.4 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.571 1.548 . . . . 0.0 113.466 -172.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.33 -35.98 76.48 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.44 -36.02 92.08 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 121.65 -0.656 . . . . 0.0 112.346 173.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.77 -31.0 71.35 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 170.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.8 mt -75.75 -58.0 3.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.967 1.307 . . . . 0.0 112.637 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -70.21 -21.07 63.06 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.49 20.91 76.21 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.484 1.04 . . . . 0.0 114.774 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.37 153.4 65.97 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 125.323 1.449 . . . . 0.0 110.732 -176.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -73.34 -26.42 14.47 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.512 2.808 . . . . 0.0 113.454 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.9 p -162.2 160.35 26.93 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.807 1.243 . . . . 0.0 112.186 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -157.19 157.68 34.83 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.255 1.022 . . . . 0.0 109.904 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -91.63 130.36 37.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.946 0.898 . . . . 0.0 111.367 169.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.69 -26.74 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.566 1.146 . . . . 0.0 112.478 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -70.3 -16.24 62.99 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.49 1.116 . . . . 0.0 113.263 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -77.03 52.29 0.87 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.624 -1.297 . . . . 0.0 111.612 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -53.07 -45.78 68.28 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.315 1.446 . . . . 0.0 112.637 -171.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 ttm105 -58.78 -38.55 78.77 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.155 1.382 . . . . 0.0 112.972 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -69.24 -47.94 63.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.205 1.002 . . . . 0.0 110.906 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.9 mt -56.63 -45.99 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.256 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -57.33 -40.92 78.97 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.301 1.0 OUTLIER -73.9 -38.97 64.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 175.581 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 59.9 mtm -64.74 -36.66 85.03 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.353 -0.842 . . . . 0.0 112.158 172.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -34.8 57.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.266 1.026 . . . . 0.0 111.543 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.9 73.12 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.215 -0.928 . . . . 0.0 112.783 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.1 m -63.54 -14.63 53.15 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 55.8 mtt -77.94 -4.85 48.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.705 1.202 . . . . 0.0 114.004 173.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.372 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -174.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 98.3 mmm . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 119.009 -0.52 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -67.91 160.04 50.24 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.428 2.752 . . . . 0.0 112.729 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -128.21 2.56 5.78 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -45.0 -49.16 11.42 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 117.376 2.361 . . . . 0.0 117.376 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -66.19 -28.57 68.86 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -64.49 -35.41 80.86 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.217 -0.927 . . . . 0.0 111.365 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -71.14 -43.37 67.71 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 169.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -66.28 -35.49 80.52 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.05 0.94 . . . . 0.0 111.655 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 39.1 tp -58.55 -32.31 68.77 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.042 -1.036 . . . . 0.0 112.539 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -72.4 -17.0 61.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.208 1.003 . . . . 0.0 113.553 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.69 -46.64 68.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.286 0.948 . . . . 0.0 110.088 167.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.2 mtm -78.27 -39.97 38.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.301 0.64 . . . . 0.0 111.341 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -90.39 41.03 1.03 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.667 1.987 . . . . 0.0 110.7 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -117.23 -127.15 3.87 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.425 1.964 . . . . 0.0 113.415 -172.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.93 -162.48 54.42 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.36 0.981 . . . . 0.0 113.672 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.11 -125.75 36.89 Favored Glycine 0 CA--C 1.532 1.137 0 O-C-N 121.9 -0.765 . . . . 0.0 112.017 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -61.74 -14.99 37.04 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.976 1.31 . . . . 0.0 114.253 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -75.77 -10.84 59.77 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.301 1.041 . . . . 0.0 113.753 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.0 tp -65.2 153.55 40.66 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.849 1.259 . . . . 0.0 112.545 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -58.78 145.74 39.51 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 117.552 2.427 . . . . 0.0 117.552 171.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.3 66.9 m-85 -109.22 -2.86 17.67 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 117.607 2.447 . . . . 0.0 117.607 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -142.97 163.34 33.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.794 2.037 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.86 -110.34 3.03 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 123.837 0.732 . . . . 0.0 112.188 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 53.0 mtt -65.3 150.36 48.39 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.995 0.918 . . . . 0.0 113.048 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.9 p -76.21 163.58 26.92 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.808 1.243 . . . . 0.0 112.853 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.59 129.97 81.21 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.469 1.108 . . . . 0.0 110.825 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -66.15 142.12 66.12 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.037 2.492 . . . . 0.0 113.202 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.63 152.39 42.3 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.99 151.51 21.87 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 169.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.39 -134.37 1.73 Allowed Glycine 0 CA--C 1.532 1.118 0 C-N-CA 123.539 0.59 . . . . 0.0 113.966 -173.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 57.24 -91.54 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.481 2.312 . . . . 0.0 113.964 -173.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.329 0.6 OUTLIER 55.93 26.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -170.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 p -79.04 159.73 27.45 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.79 2.036 . . . . 0.0 109.225 -174.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 t -63.84 157.5 24.42 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -149.03 27.31 0.86 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.519 1.527 . . . . 0.0 111.845 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -69.38 -15.35 63.29 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -143.33 153.04 58.83 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 126.567 1.947 . . . . 0.0 110.599 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.35 -12.9 37.5 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.295 2.664 . . . . 0.0 114.434 -174.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.58 -14.23 62.41 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 m -63.74 134.72 55.84 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.198 0.908 . . . . 0.0 113.246 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -148.41 -6.67 0.41 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.911 1.684 . . . . 0.0 112.987 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -69.45 157.33 37.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.605 1.962 . . . . 0.0 114.102 -171.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -144.52 -169.21 3.1 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.087 2.155 . . . . 0.0 109.91 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.15 130.94 23.32 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.734 2.124 . . . . 0.0 116.734 177.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.6 mt -80.56 149.11 30.07 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.95 0.9 . . . . 0.0 112.343 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.88 163.99 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 127.319 2.247 . . . . 0.0 113.147 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.3 87.25 3.91 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 125.128 1.371 . . . . 0.0 112.225 173.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -66.11 148.13 84.89 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.719 2.28 . . . . 0.0 112.637 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -50.69 150.22 5.24 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 124.788 1.235 . . . . 0.0 113.149 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -56.16 -34.96 94.55 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.08 2.52 . . . . 0.0 113.638 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.11 -35.99 80.38 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.739 1.216 . . . . 0.0 112.557 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 tp -79.39 -41.1 28.5 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.877 0.871 . . . . 0.0 111.78 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.8 tp -55.93 -39.95 72.41 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.806 0.842 . . . . 0.0 111.807 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -55.85 -43.98 77.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.333 1.053 . . . . 0.0 112.604 169.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.22 -43.77 81.19 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.074 0.95 . . . . 0.0 111.866 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.71 -42.49 97.34 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.706 0.802 . . . . 0.0 110.616 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -72.24 -22.63 61.21 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.786 -1.196 . . . . 0.0 114.18 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -64.73 -22.93 67.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.653 0.781 . . . . 0.0 112.828 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.9 m -105.67 13.05 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.738 1.615 . . . . 0.0 113.35 168.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.74 29.88 30.99 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.967 1.27 . . . . 0.0 115.851 169.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.92 134.52 49.67 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 119.12 1.46 . . . . 0.0 111.434 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.59 -41.38 14.33 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -168.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -77.79 175.63 9.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.067 1.347 . . . . 0.0 114.228 -169.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -109.52 -23.79 11.32 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.142 1.777 . . . . 0.0 114.82 167.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 147.43 39.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.695 1.998 . . . . 0.0 106.326 169.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -140.15 151.36 45.22 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -75.49 155.42 36.2 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 165.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.49 -38.02 76.77 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.864 -1.147 . . . . 0.0 112.307 173.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -67.69 -37.21 81.98 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.72 -46.01 90.09 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.871 1.214 . . . . 0.0 112.805 172.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.0 -51.03 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 122.947 0.499 . . . . 0.0 110.263 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.4 mt -58.51 -43.81 89.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.187 0.595 . . . . 0.0 112.087 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -54.58 -56.63 16.93 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -63.03 -39.99 96.4 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.42 -41.48 98.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.941 0.896 . . . . 0.0 111.57 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.72 -42.93 99.82 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.843 0.735 . . . . 0.0 112.55 172.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.09 -34.08 74.37 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.623 1.212 . . . . 0.0 113.316 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -68.73 -49.24 60.38 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.882 0.765 . . . . 0.0 111.98 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.4 mt -57.84 -42.23 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.413 1.085 . . . . 0.0 110.952 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 33.2 ttm -59.99 -56.21 24.51 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.83 1.652 . . . . 0.0 111.868 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.23 -35.32 80.12 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -76.8 -12.18 59.94 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.382 1.473 . . . . 0.0 114.374 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 54.53 43.06 30.87 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.058 1.743 . . . . 0.0 113.68 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.9 mt -76.77 -13.19 60.04 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -66.72 147.35 53.37 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -65.45 130.99 45.27 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.446 -0.784 . . . . 0.0 112.548 169.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -59.99 -30.76 69.34 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.282 -0.886 . . . . 0.0 112.748 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -83.15 -64.64 1.13 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.397 1.079 . . . . 0.0 111.375 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -88.2 84.45 6.89 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.045 0.938 . . . . 0.0 110.474 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -60.02 -21.43 61.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.736 1.215 . . . . 0.0 113.203 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -87.37 5.36 39.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.806 1.643 . . . . 0.0 114.39 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.2 mt -121.77 127.11 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.249 1.386 . . . . 0.0 110.398 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.28 137.68 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.854 1.661 . . . . 0.0 110.204 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -123.2 125.84 45.85 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.492 1.917 . . . . 0.0 113.108 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 33.5 t -159.61 108.99 1.84 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.773 0.829 . . . . 0.0 109.637 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.8 p -120.2 148.4 43.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.197 1.399 . . . . 0.0 111.896 170.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 55.43 25.5 7.78 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.002 1.721 . . . . 0.0 115.231 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -142.65 167.12 22.84 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.758 1.623 . . . . 0.0 110.368 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.1 tp -50.1 -45.42 52.72 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.276 1.83 . . . . 0.0 115.686 -167.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.85 -32.39 69.39 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.351 -0.843 . . . . 0.0 113.077 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.67 -39.48 77.72 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.97 0.795 . . . . 0.0 112.348 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.67 -32.61 74.14 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.8 mt -69.2 -60.59 2.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.981 1.312 . . . . 0.0 111.902 169.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.289 41.3 m-85 -67.17 -23.18 65.74 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 118.011 2.597 . . . . 0.0 118.011 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.51 16.4 77.54 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 123.973 0.797 . . . . 0.0 114.38 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.71 151.25 65.63 Favored Pre-proline 0 N--CA 1.476 0.873 0 C-N-CA 126.16 1.784 . . . . 0.0 109.112 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.13 -22.86 25.41 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.567 2.845 . . . . 0.0 113.145 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.6 p -162.07 160.84 27.92 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.395 1.478 . . . . 0.0 112.042 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.61 153.26 31.1 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.595 0.758 . . . . 0.0 110.598 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -84.9 128.11 34.47 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.104 0.962 . . . . 0.0 111.765 170.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.19 -24.99 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.213 1.405 . . . . 0.0 112.607 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -69.27 -22.43 63.82 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.234 1.014 . . . . 0.0 113.116 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -80.61 64.11 5.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 124.251 1.976 . . . . 0.0 112.635 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -56.98 -45.42 82.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 112.128 -2.305 . . . . 0.0 111.372 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -54.38 -43.53 71.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.803 1.641 . . . . 0.0 113.516 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -70.39 -44.35 68.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.954 0.901 . . . . 0.0 110.849 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.55 -44.96 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.819 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -57.49 -45.61 84.68 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.268 1.5 t -67.13 -37.35 83.68 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 174.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.5 mtm -65.28 -42.93 92.66 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.172 -0.955 . . . . 0.0 112.319 172.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.55 -38.79 90.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.882 0.873 . . . . 0.0 112.165 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.5 -31.77 73.03 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.276 0.63 . . . . 0.0 112.531 173.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.7 t -69.57 -35.08 75.05 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.428 -0.795 . . . . 0.0 112.417 171.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 59.7 mtt -64.32 -28.4 69.68 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.6 -1.312 . . . . 0.0 114.272 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.296 2.9 p -90.08 -0.91 57.84 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 174.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.04 -179.32 51.81 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.987 1.279 . . . . 0.0 111.925 167.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.07 167.07 6.07 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.886 1.231 . . . . 0.0 115.111 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -71.99 146.8 47.46 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.165 1.386 . . . . 0.0 114.67 -171.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -119.85 65.65 0.81 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.887 2.075 . . . . 0.0 110.991 173.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.6 ttp -73.32 -31.26 63.9 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.309 0 C-N-CA 125.646 1.593 . . . . 0.0 113.369 178.077 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 58.2 ttm . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -68.58 160.01 51.15 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.422 2.748 . . . . 0.0 112.469 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -139.95 152.42 46.33 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.035 1.734 . . . . 0.0 110.745 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -57.31 -49.76 75.08 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 171.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -65.26 -31.79 73.12 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -173.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.9 -35.38 74.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.39 0.676 . . . . 0.0 112.461 175.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -74.42 -42.88 58.43 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -65.7 -30.97 71.73 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.137 0.975 . . . . 0.0 112.21 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.78 -31.34 70.7 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.978 -1.076 . . . . 0.0 112.879 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -65.03 -26.85 68.44 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.506 1.123 . . . . 0.0 113.109 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.6 -52.16 48.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.454 0.702 . . . . 0.0 111.879 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.0 ptp -69.77 -25.07 63.63 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.54 0.609 . . . . 0.0 112.004 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -72.85 3.02 5.7 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.702 1.601 . . . . 0.0 113.958 169.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.26 16.74 77.16 Favored Glycine 0 CA--C 1.536 1.379 0 O-C-N 120.848 -1.158 . . . . 0.0 114.824 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.62 19.73 65.24 Favored Glycine 0 CA--C 1.538 1.49 0 CA-C-N 118.468 1.134 . . . . 0.0 114.214 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.08 136.91 37.9 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.701 1.143 . . . . 0.0 113.88 -170.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 62.37 6.31 1.87 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.812 2.045 . . . . 0.0 115.785 -173.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -123.8 1.7 8.76 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.179 1.391 . . . . 0.0 114.198 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.6 mt -69.17 152.0 45.65 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.964 0.905 . . . . 0.0 112.551 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.292 53.2 t80 -64.38 136.73 57.4 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 -174.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.275 9.7 p90 -63.34 132.76 52.58 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 61.64 -47.03 0.14 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 128.474 2.71 . . . . 0.0 116.339 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.16 -2.99 90.71 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.077 1.323 . . . . 0.0 115.818 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 22.9 ttt -142.3 154.78 44.99 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.247 1.419 . . . . 0.0 111.234 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.4 p -145.67 167.52 22.91 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.592 1.557 . . . . 0.0 111.726 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 t -59.47 127.73 85.01 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 124.466 1.106 . . . . 0.0 112.226 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.52 156.81 60.57 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.496 2.798 . . . . 0.0 112.885 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.388 0.2 OUTLIER -121.75 44.72 2.49 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.753 1.761 . . . . 0.0 115.753 175.245 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -63.62 -16.66 61.51 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -169.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.84 -21.78 76.74 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-O 118.89 -0.95 . . . . 0.0 113.974 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 56.88 -10.53 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 128.571 2.748 . . . . 0.0 118.205 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 t -141.67 151.1 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 127.792 2.437 . . . . 0.0 111.036 -172.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -134.72 154.59 51.5 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.279 1.8 t -143.72 18.1 1.82 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.395 1.878 . . . . 0.0 114.089 175.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.4 p -66.06 150.5 48.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.258 1.423 . . . . 0.0 114.362 -173.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -158.89 -53.59 0.06 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.471 1.908 . . . . 0.0 108.873 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.3 pt -73.45 170.32 14.57 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 125.792 1.637 . . . . 0.0 109.784 167.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -59.86 -27.56 85.19 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.946 2.43 . . . . 0.0 115.175 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.85 127.44 32.55 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.856 0.863 . . . . 0.0 111.461 170.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -75.13 -28.21 60.1 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -176.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 57.75 24.41 10.66 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.636 1.974 . . . . 0.0 113.565 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -78.0 47.97 0.69 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.893 1.677 . . . . 0.0 113.254 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.47 36.85 0.32 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.247 1.819 . . . . 0.0 113.347 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 133.56 56.21 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 -174.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -90.17 153.54 20.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.87 1.268 . . . . 0.0 113.652 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -128.8 162.7 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 128.491 2.716 . . . . 0.0 112.466 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.7 mtm105 -109.05 89.04 6.19 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 124.579 1.152 . . . . 0.0 111.986 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -66.79 150.52 83.35 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.191 1.928 . . . . 0.0 112.632 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -65.04 153.72 88.33 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.318 1.047 . . . . 0.0 112.49 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -55.92 -34.09 90.81 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.157 2.571 . . . . 0.0 114.859 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 tp -65.91 -37.59 86.48 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.805 0.842 . . . . 0.0 112.501 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.6 tp -72.46 -45.48 59.33 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.193 0.997 . . . . 0.0 110.661 172.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.5 tp -53.13 -43.21 66.77 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.333 0.653 . . . . 0.0 111.961 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -61.4 -40.14 93.28 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.666 0.787 . . . . 0.0 112.874 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 tt -64.88 -40.3 94.89 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.146 0.978 . . . . 0.0 111.812 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.4 mt -66.75 -43.24 84.63 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.854 0.861 . . . . 0.0 110.891 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -64.6 -22.01 66.86 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 173.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -64.65 -18.53 65.02 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.084 0.856 . . . . 0.0 113.138 171.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.8 m -113.19 16.86 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 126.037 1.735 . . . . 0.0 113.065 168.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.16 31.3 43.06 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.668 1.128 . . . . 0.0 115.61 170.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.36 76.87 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 118.924 1.362 . . . . 0.0 113.507 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 57.47 -21.8 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 169.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -66.78 159.62 27.61 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 121.193 1.815 . . . . 0.0 112.258 175.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -91.01 -6.08 54.47 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 169.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.23 148.35 28.79 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.629 1.972 . . . . 0.0 106.657 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -148.47 154.54 39.99 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -174.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -74.5 156.97 36.32 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.37 -0.831 . . . . 0.0 112.733 165.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mmt -57.23 -36.31 70.75 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.526 -1.359 . . . . 0.0 113.167 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -67.09 -39.47 86.79 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.513 172.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.39 -46.64 89.32 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.799 1.181 . . . . 0.0 112.903 172.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -60.05 -49.92 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.316 0.507 . . . . 0.0 110.356 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.18 -44.8 92.18 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.61 0.641 . . . . 0.0 112.147 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -55.52 -54.06 48.64 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -66.02 -38.3 88.06 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.53 -41.27 98.49 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.25 -0.906 . . . . 0.0 111.631 172.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.72 99.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 121.572 -0.705 . . . . 0.0 112.271 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -61.34 -35.65 78.0 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.319 1.06 . . . . 0.0 113.256 170.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -68.27 -49.14 62.55 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.808 0.731 . . . . 0.0 111.006 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.13 -40.94 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 111.287 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.1 ttm -62.24 -52.49 63.52 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.013 1.325 . . . . 0.0 112.253 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -69.42 -38.61 77.97 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -72.7 -14.84 61.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.254 1.422 . . . . 0.0 113.493 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 56.63 42.94 26.34 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.04 2.136 . . . . 0.0 113.033 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.3 mt -77.42 -9.19 58.72 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.699 1.2 . . . . 0.0 114.006 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -63.15 148.6 47.53 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 172.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.55 132.51 50.07 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 171.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -64.69 -27.78 69.15 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -80.79 -47.19 14.24 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.982 0.913 . . . . 0.0 110.905 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -130.44 100.32 5.31 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.97 1.308 . . . . 0.0 112.362 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.85 -13.89 62.51 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -176.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -75.18 -2.7 29.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.103 0.961 . . . . 0.0 113.481 171.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.6 mt -113.32 134.29 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.727 1.611 . . . . 0.0 109.796 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -109.95 133.64 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.741 1.616 . . . . 0.0 112.541 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.289 52.2 m-85 -106.81 69.7 0.78 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.83 2.052 . . . . 0.0 115.645 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.5 p -69.94 -3.35 15.63 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.0 t -46.97 131.59 12.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.926 1.69 . . . . 0.0 114.252 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 59.8 -0.02 0.23 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -86.37 170.5 11.96 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.114 1.366 . . . . 0.0 111.475 172.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.7 tp -51.42 -44.49 62.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.402 1.081 . . . . 0.0 111.282 169.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.02 -32.99 73.53 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.14 -31.16 75.81 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 123.808 0.718 . . . . 0.0 113.45 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -73.37 -29.13 62.43 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 171.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.82 -55.96 5.56 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.855 0.862 . . . . 0.0 112.206 171.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.304 26.4 m-85 -68.79 -26.55 65.25 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 117.591 2.441 . . . . 0.0 117.591 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.73 18.55 78.81 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.181 0.896 . . . . 0.0 114.693 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 m -141.53 155.27 67.14 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 125.896 1.678 . . . . 0.0 109.78 -176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.83 -28.29 16.86 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.063 2.509 . . . . 0.0 113.207 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.5 p -163.11 161.86 25.4 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.767 1.227 . . . . 0.0 112.558 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -156.43 160.0 39.2 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.509 1.124 . . . . 0.0 109.388 173.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -95.24 131.11 41.65 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.813 0.845 . . . . 0.0 111.171 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.61 -23.47 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.404 1.081 . . . . 0.0 112.603 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -63.94 -21.81 66.64 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.407 1.483 . . . . 0.0 113.753 172.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -78.38 49.35 0.84 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.109 1.764 . . . . 0.0 111.762 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -52.31 -45.09 65.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.545 1.138 . . . . 0.0 113.347 -169.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.5 ttp-105 -59.88 -42.1 93.02 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.106 0.963 . . . . 0.0 112.818 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -68.55 -44.53 74.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.87 0.868 . . . . 0.0 110.944 174.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.53 -45.12 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.733 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -58.21 -43.53 87.71 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.301 1.0 OUTLIER -68.46 -34.24 75.6 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 173.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.9 mtm -68.44 -37.28 80.11 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.111 -0.993 . . . . 0.0 112.687 170.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 98.2 mmm -66.89 -39.78 87.57 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.412 1.085 . . . . 0.0 111.772 173.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.02 -34.91 75.58 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.645 -0.659 . . . . 0.0 111.909 171.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.9 m -68.95 -0.29 5.42 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 171.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 35.4 mtt -102.66 -2.68 27.86 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.981 1.312 . . . . 0.0 113.399 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.253 1.1 p -132.51 -31.76 1.36 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.52 -173.47 49.61 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.392 1.472 . . . . 0.0 113.394 169.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.75 133.67 34.94 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 123.839 0.733 . . . . 0.0 112.889 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -78.91 147.78 32.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.244 1.018 . . . . 0.0 112.861 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -79.41 -12.72 59.9 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 171.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 17.4 tpt -67.0 142.97 57.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.097 1.359 . . . . 0.0 112.622 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.381 1.467 . . . . 0.0 112.855 178.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 57.4 ttm . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -69.18 153.51 71.49 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.28 2.653 . . . . 0.0 112.327 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -131.13 159.57 37.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.074 1.35 . . . . 0.0 113.562 -176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -52.16 -49.39 63.87 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -66.26 -25.41 66.86 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -64.75 -42.75 94.94 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.209 -0.932 . . . . 0.0 111.208 172.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -66.77 -33.61 76.0 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -75.35 -37.77 60.49 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.985 -0.447 . . . . 0.0 111.502 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 28.2 tp -60.63 -31.29 70.49 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.615 -1.303 . . . . 0.0 112.284 174.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -66.05 -25.16 66.91 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.245 1.418 . . . . 0.0 113.952 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.5 mt -63.22 -55.77 22.2 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.678 0.672 . . . . 0.0 110.869 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.46 -29.34 64.74 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -71.1 -38.61 72.37 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.02 0.928 . . . . 0.0 112.063 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.96 87.78 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.072 0.844 . . . . 0.0 112.824 175.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.53 -36.81 0.27 Allowed Glycine 0 CA--C 1.54 1.655 0 C-N-CA 126.928 2.204 . . . . 0.0 117.889 169.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.4 128.6 27.67 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.079 1.439 . . . . 0.0 112.771 -176.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.26 -15.78 38.51 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 -169.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -128.14 20.09 6.38 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.341 1.456 . . . . 0.0 112.133 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.6 tp 47.93 61.17 3.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.281 1.432 . . . . 0.0 111.38 -170.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -59.71 132.01 52.65 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 -169.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.293 39.9 t80 -73.25 142.14 47.24 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 177.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -154.0 167.59 29.25 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.207 1.803 . . . . 0.0 110.837 171.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.0 -18.84 42.33 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 118.057 1.983 . . . . 0.0 118.057 -168.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 64.9 mtm -82.96 -10.24 58.89 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.711 1.755 . . . . 0.0 113.207 173.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m 61.76 118.54 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 128.523 2.729 . . . . 0.0 114.803 -169.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t 65.22 128.83 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.129 0 C-N-CA 127.164 2.186 . . . . 0.0 115.34 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -67.53 113.82 3.06 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.493 2.129 . . . . 0.0 110.22 172.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.58 140.61 35.16 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -169.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . 0.382 9.3 p30 27.28 -90.74 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 119.076 2.991 . . . . 0.0 119.076 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.1 -13.72 58.07 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.217 1.389 . . . . 0.0 115.251 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.76 -29.89 70.43 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.774 1.287 . . . . 0.0 113.202 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -70.5 -35.32 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 172.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -25.92 68.6 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -16.2 63.95 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 171.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 t -69.42 153.12 44.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.066 0.946 . . . . 0.0 112.895 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -67.93 -23.43 65.08 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.749 1.219 . . . . 0.0 113.333 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -138.04 152.87 72.82 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 126.038 1.735 . . . . 0.0 111.283 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -66.29 140.0 56.96 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.037 2.491 . . . . 0.0 113.125 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.99 168.84 18.69 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.784 1.233 . . . . 0.0 112.578 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t 64.7 -24.16 0.08 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.897 2.479 . . . . 0.0 116.873 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -67.58 -31.05 70.84 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.616 -1.303 . . . . 0.0 112.839 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -138.25 138.53 38.55 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.779 1.632 . . . . 0.0 111.096 169.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -159.17 150.39 20.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.699 1.599 . . . . 0.0 110.469 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 138.81 57.86 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.78 145.34 48.78 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.761 0.824 . . . . 0.0 111.613 172.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.92 -24.08 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -173.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 47.29 72.36 1.29 Allowed Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 127.242 2.217 . . . . 0.0 112.506 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.94 167.12 26.89 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.068 2.512 . . . . 0.0 113.301 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -55.26 148.23 32.35 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.119 0.967 . . . . 0.0 112.246 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -60.45 -30.51 90.98 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.857 2.372 . . . . 0.0 112.745 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.71 -40.94 94.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.49 1.116 . . . . 0.0 112.438 174.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -75.71 -44.93 39.56 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.43 0.692 . . . . 0.0 111.526 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.5 tp -55.67 -39.55 71.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.597 0.759 . . . . 0.0 112.154 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.1 -39.86 83.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.118 0.967 . . . . 0.0 112.91 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.26 -45.6 92.58 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.624 0.77 . . . . 0.0 111.159 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.09 -43.86 91.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.707 0.685 . . . . 0.0 111.032 174.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -65.92 -26.53 67.64 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -65.23 -25.9 67.89 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.307 0.958 . . . . 0.0 112.307 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 m -101.15 16.58 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.429 1.492 . . . . 0.0 112.94 169.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.82 30.64 25.87 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 116.591 1.396 . . . . 0.0 116.591 168.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.23 126.2 28.98 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 119.557 1.679 . . . . 0.0 110.645 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -81.29 -39.95 24.44 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -168.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -78.63 172.82 13.14 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.606 1.962 . . . . 0.0 113.179 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -103.64 -2.56 26.41 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -143.56 146.67 33.5 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.924 1.69 . . . . 0.0 107.286 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -144.39 154.77 43.33 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.455 1.502 . . . . 0.0 114.228 -171.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.34 166.19 23.79 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 168.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mmt -54.66 -46.11 73.96 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.312 -0.867 . . . . 0.0 112.666 172.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.59 -39.41 88.4 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.926 0.891 . . . . 0.0 112.031 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.05 -43.83 91.03 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.61 -48.57 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.544 0.738 . . . . 0.0 109.443 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.8 -44.95 86.67 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.741 0.701 . . . . 0.0 111.248 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.26 31.1 t80 -53.57 -60.55 3.16 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 173.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -60.23 -41.51 93.27 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.91 -45.77 90.94 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.417 1.087 . . . . 0.0 111.526 176.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.19 -42.5 96.36 Favored Glycine 0 CA--C 1.527 0.798 0 O-C-N 121.742 -0.599 . . . . 0.0 113.393 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -61.58 -35.32 77.48 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.364 1.082 . . . . 0.0 112.061 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -62.82 -53.28 56.71 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 169.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.8 mt -59.74 -39.7 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.904 0.882 . . . . 0.0 111.142 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.3 ttm -62.48 -56.01 22.19 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.723 1.209 . . . . 0.0 111.632 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . 0.256 1.3 t -67.77 -36.67 80.92 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -72.96 -9.21 58.48 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.678 1.191 . . . . 0.0 113.669 170.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 56.08 42.8 27.94 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.518 1.927 . . . . 0.0 113.051 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.85 -7.8 57.17 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.936 1.294 . . . . 0.0 113.953 -173.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -69.9 152.42 44.52 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 172.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -62.01 133.63 55.59 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.332 -0.855 . . . . 0.0 113.09 169.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -57.84 -30.68 65.97 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.048 0.939 . . . . 0.0 112.417 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -88.29 -61.9 1.61 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.357 1.463 . . . . 0.0 110.447 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.413 ' C ' ' H ' ' A' ' 79' ' ' HIS . 14.4 mt-30 -87.42 79.47 8.41 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.969 1.308 . . . . 0.0 110.367 175.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -73.91 34.12 0.09 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.384 1.474 . . . . 0.0 113.44 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.413 ' H ' ' C ' ' A' ' 77' ' ' GLN . 44.2 p-80 -143.27 5.69 1.47 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 128.066 2.546 . . . . 0.0 112.116 175.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.0 mt -121.04 127.8 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.221 1.408 . . . . 0.0 109.441 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -96.69 139.08 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.243 1.817 . . . . 0.0 112.998 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -128.9 125.56 37.85 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.154 1.782 . . . . 0.0 113.453 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -159.21 101.68 1.58 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.218 1.007 . . . . 0.0 110.426 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.6 p -105.24 142.22 35.4 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.912 1.285 . . . . 0.0 111.677 171.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.47 9.53 0.79 Allowed 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.26 31.7 m-20 -120.75 170.23 9.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.229 2.212 . . . . 0.0 115.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.2 tp -52.66 -41.32 63.71 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -168.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.8 tp -68.83 -38.12 79.62 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.417 1.008 . . . . 0.0 112.601 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.24 -37.77 86.92 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 123.629 0.633 . . . . 0.0 112.491 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.06 -32.31 73.81 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 172.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.7 mt -71.35 -62.12 1.52 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.991 1.316 . . . . 0.0 112.077 171.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.284 55.7 m-85 -68.81 -19.04 64.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.89 16.7 80.49 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.41 1.005 . . . . 0.0 114.395 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.18 151.58 55.73 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 125.984 1.714 . . . . 0.0 109.567 -177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.53 -21.41 25.9 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.651 2.901 . . . . 0.0 113.212 175.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -161.02 158.15 27.42 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.246 1.418 . . . . 0.0 112.177 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -156.32 155.5 32.37 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.102 0.961 . . . . 0.0 109.696 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.1 t -97.48 133.64 41.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.846 0.858 . . . . 0.0 112.921 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . 0.26 1.3 t -77.07 -2.4 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.325 1.45 . . . . 0.0 114.439 170.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.43 -31.97 73.35 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.604 1.161 . . . . 0.0 112.405 170.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -111.39 81.35 1.43 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.879 1.272 . . . . 0.0 111.934 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -53.35 -37.12 62.06 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.268 1.027 . . . . 0.0 113.003 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -56.6 -39.24 73.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.679 1.591 . . . . 0.0 113.25 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -67.95 -44.49 76.64 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.911 0.885 . . . . 0.0 111.565 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.77 -46.6 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 118.46 -0.781 . . . . 0.0 111.127 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -57.64 -44.77 85.85 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.661 1.119 . . . . 0.0 112.909 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.275 1.1 t -66.22 -40.1 90.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 177.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 76.0 mtm -68.08 -40.18 82.75 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.581 -0.699 . . . . 0.0 112.508 173.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -76.64 -28.58 56.1 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.76 0.824 . . . . 0.0 111.862 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.0 -29.14 70.04 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.225 -0.922 . . . . 0.0 112.815 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.7 t -62.22 -24.92 67.51 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.21 -0.931 . . . . 0.0 112.32 173.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 36.9 mtt -79.17 -1.12 34.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.944 1.298 . . . . 0.0 113.446 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.345 0.9 OUTLIER -127.08 5.82 6.48 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -176.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.92 174.03 38.48 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 115.501 0.961 . . . . 0.0 115.501 174.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.26 -179.35 48.29 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.457 1.503 . . . . 0.0 115.38 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -128.7 22.03 5.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.006 1.722 . . . . 0.0 113.28 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -63.32 -24.52 67.89 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.004 1.721 . . . . 0.0 114.872 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 36.4 mmt -78.9 141.9 37.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.108 0.963 . . . . 0.0 112.481 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 125.134 1.35 . . . . 0.0 112.877 179.608 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 118.741 -0.647 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -58.2 -33.22 97.31 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.342 2.695 . . . . 0.0 114.883 -175.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -61.96 -30.16 70.73 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -69.18 -47.06 65.96 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 166.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -65.32 -32.02 73.45 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.464 0.705 . . . . 0.0 112.864 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.51 -40.49 87.28 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.422 1.01 . . . . 0.0 112.952 171.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -66.54 -41.94 87.93 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 168.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -70.58 -32.14 69.42 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.729 0.812 . . . . 0.0 112.094 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 21.3 tp -65.31 -31.58 72.79 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.715 -1.241 . . . . 0.0 112.476 176.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -63.3 -31.04 72.09 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.186 0.994 . . . . 0.0 112.313 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.98 -58.45 8.61 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.231 0.612 . . . . 0.0 111.163 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.7 ptp -70.53 -29.36 65.81 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -71.94 -37.24 70.03 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.966 0.906 . . . . 0.0 112.593 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.82 -55.32 4.2 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 123.834 0.731 . . . . 0.0 112.946 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.34 161.2 3.46 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.329 1.442 . . . . 0.0 114.712 -171.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.19 162.4 43.39 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 121.895 -0.768 . . . . 0.0 113.129 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 63.47 -33.97 0.13 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 128.212 2.605 . . . . 0.0 115.842 -175.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -63.19 -39.08 93.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.322 1.449 . . . . 0.0 112.57 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.1 tt -71.37 118.01 13.63 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.895 0.878 . . . . 0.0 109.633 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -58.67 120.29 8.65 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 117.824 2.528 . . . . 0.0 117.824 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -62.72 -30.32 71.33 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.57 -10.41 59.2 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.747 1.219 . . . . 0.0 114.057 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.55 127.35 25.93 Favored Glycine 0 CA--C 1.534 1.266 0 O-C-N 121.558 -0.714 . . . . 0.0 112.27 174.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -75.05 -9.55 58.64 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.86 1.264 . . . . 0.0 114.261 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 m -153.41 164.79 37.54 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.376 2.27 . . . . 0.0 110.896 171.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 t -61.91 129.9 92.12 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 123.994 0.917 . . . . 0.0 112.524 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.45 163.38 36.84 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.398 2.732 . . . . 0.0 113.031 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 t -64.3 162.85 14.01 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -58.91 111.01 1.14 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.44 1.496 . . . . 0.0 115.028 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.25 -178.36 44.45 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.604 1.097 . . . . 0.0 113.845 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.22 43.62 1.13 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.38 1.472 . . . . 0.0 111.912 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t -59.98 136.76 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.841 1.256 . . . . 0.0 113.503 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -58.03 -21.81 46.96 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -21.36 19.7 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 169.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.2 p -68.99 -16.39 63.72 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.271 1.428 . . . . 0.0 114.265 171.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . 0.253 9.5 tp60 63.29 130.1 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.887 2.875 . . . . 0.0 115.779 -177.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.6 pp -81.64 157.29 69.9 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.919 1.288 . . . . 0.0 112.615 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -73.11 76.91 2.49 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.834 3.022 . . . . 0.0 110.96 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.59 130.23 45.42 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.709 1.204 . . . . 0.0 113.1 -171.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.0 m 58.87 8.02 0.89 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.833 2.053 . . . . 0.0 116.491 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -93.26 131.16 38.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.572 1.149 . . . . 0.0 111.678 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -76.23 167.64 21.5 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.326 1.05 . . . . 0.0 113.343 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 135.15 52.07 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.442 -0.786 . . . . 0.0 109.736 167.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.72 141.14 43.05 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -172.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.77 154.32 38.4 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.745 1.218 . . . . 0.0 113.058 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -126.11 161.69 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 127.999 2.52 . . . . 0.0 111.385 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -104.64 92.99 5.49 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 123.766 0.826 . . . . 0.0 110.689 171.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -65.41 155.88 66.34 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.215 1.943 . . . . 0.0 112.011 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -54.88 150.56 18.56 Favored Pre-proline 0 N--CA 1.478 0.93 0 C-N-CA 123.996 0.918 . . . . 0.0 112.047 171.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -59.5 -32.54 96.44 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.606 2.204 . . . . 0.0 112.832 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.2 tp -62.24 -40.64 96.83 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.492 1.117 . . . . 0.0 112.417 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.2 tp -73.97 -45.83 47.65 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.905 0.882 . . . . 0.0 111.435 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.92 -39.66 71.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.214 1.006 . . . . 0.0 112.087 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -60.34 -37.9 82.11 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.996 0.918 . . . . 0.0 112.931 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.85 -45.59 93.13 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 0.0 111.108 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.28 -41.42 96.91 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.544 0.611 . . . . 0.0 111.266 175.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -65.78 -27.05 68.0 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 p -65.13 -25.04 67.59 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.357 0.98 . . . . 0.0 112.48 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.8 m -102.24 14.83 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.728 1.611 . . . . 0.0 113.039 169.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.54 28.15 25.26 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 116.865 1.506 . . . . 0.0 116.865 168.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.67 121.79 19.46 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 119.758 1.779 . . . . 0.0 110.233 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -79.63 -37.84 35.13 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 -167.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -91.12 -177.04 4.79 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.579 1.952 . . . . 0.0 113.87 -174.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.8 p30 -115.8 2.2 13.57 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.686 1.994 . . . . 0.0 115.444 -174.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.46 141.18 24.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 -174.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -147.82 151.64 36.32 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -73.59 158.41 34.86 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.614 1.097 . . . . 0.0 113.208 167.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.3 mmt -56.47 -38.24 71.43 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.83 -1.169 . . . . 0.0 113.065 173.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -66.48 -38.99 88.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.328 0.651 . . . . 0.0 112.592 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.22 -45.48 88.07 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.333 0.97 . . . . 0.0 112.739 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.29 -48.35 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.422 0.689 . . . . 0.0 110.592 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.67 -45.8 88.6 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.421 0.688 . . . . 0.0 111.553 174.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -52.37 -56.6 13.84 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -60.22 -40.08 88.92 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.05 -43.59 87.04 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.014 0.925 . . . . 0.0 112.343 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.23 98.93 Favored Glycine 0 CA--C 1.532 1.121 0 O-C-N 121.222 -0.924 . . . . 0.0 112.634 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -62.77 -34.79 77.97 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.955 -0.733 . . . . 0.0 112.461 172.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.46 -50.17 70.77 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 172.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.7 mt -58.81 -40.53 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.432 1.093 . . . . 0.0 111.337 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.5 mtm -64.57 -51.89 60.47 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -65.65 -34.83 79.13 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -77.53 -15.34 59.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.842 1.657 . . . . 0.0 114.507 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 54.64 43.85 29.53 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 126.225 1.81 . . . . 0.0 113.726 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.0 mt -74.87 -13.69 60.58 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.293 2.0 p90 -66.56 153.13 43.81 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.18 130.0 43.39 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.155 0.582 . . . . 0.0 112.518 168.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -59.16 -30.52 68.23 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.144 -0.973 . . . . 0.0 112.682 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -85.99 -45.9 11.03 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.971 1.309 . . . . 0.0 111.54 -175.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -120.96 89.5 3.14 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.472 1.509 . . . . 0.0 111.006 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -69.84 -9.93 56.58 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -172.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -78.71 -5.11 52.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.184 0.994 . . . . 0.0 113.399 169.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.7 mt -107.03 130.02 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.771 1.628 . . . . 0.0 110.224 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.1 t -102.03 128.92 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.068 1.747 . . . . 0.0 112.561 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.277 56.4 m-85 -104.88 68.74 0.84 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.739 2.016 . . . . 0.0 114.731 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.0 p -71.93 2.1 6.13 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -174.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 81.9 p -53.32 145.92 13.19 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.994 1.318 . . . . 0.0 113.815 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 58.47 16.01 3.91 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.197 1.799 . . . . 0.0 115.568 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -120.49 165.0 15.57 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.549 1.539 . . . . 0.0 112.861 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.1 tp -48.95 -38.11 22.06 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.226 1.41 . . . . 0.0 112.361 169.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.9 tp -70.56 -34.29 72.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.5 -37.46 94.47 Favored Glycine 0 CA--C 1.533 1.197 0 O-C-N 121.435 -0.791 . . . . 0.0 112.34 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.94 -29.99 70.49 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.39 -59.11 2.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.88 1.272 . . . . 0.0 112.114 171.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.263 27.0 m-85 -68.04 -23.89 65.03 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 117.754 2.502 . . . . 0.0 117.754 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.72 19.19 79.71 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 123.997 0.808 . . . . 0.0 114.54 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.6 m -139.79 155.22 71.36 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 126.187 1.795 . . . . 0.0 109.522 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.35 -25.92 17.87 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.283 2.655 . . . . 0.0 113.276 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.6 p -161.82 160.2 27.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.641 1.176 . . . . 0.0 113.0 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -158.06 162.88 38.12 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.46 1.504 . . . . 0.0 107.427 173.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.0 t -104.89 134.8 47.4 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.139 -0.976 . . . . 0.0 111.877 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.6 t -60.03 -26.01 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.736 0.814 . . . . 0.0 112.767 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -64.15 -20.43 65.99 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.424 1.89 . . . . 0.0 113.333 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -78.8 50.21 0.98 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.093 1.757 . . . . 0.0 112.066 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -51.92 -46.36 64.62 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.762 1.225 . . . . 0.0 114.24 -169.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -39.79 93.97 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.64 1.176 . . . . 0.0 112.933 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -67.59 -45.7 74.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.532 1.533 . . . . 0.0 111.376 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.26 -44.58 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 118.946 -0.549 . . . . 0.0 111.107 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -56.17 -47.89 77.39 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.279 1.2 t -67.05 -36.23 81.59 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 61.1 mtm -66.33 -42.69 87.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.46 -0.775 . . . . 0.0 112.353 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.2 mmm -63.48 -39.65 95.01 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.925 0.89 . . . . 0.0 111.992 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.78 80.79 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.447 0.699 . . . . 0.0 112.772 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.0 p -65.78 -18.78 65.57 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 39.2 mtt -85.99 -4.45 59.17 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.544 1.138 . . . . 0.0 113.703 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.324 0.7 OUTLIER -132.07 3.1 4.01 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.728 2.122 . . . . 0.0 116.728 -177.568 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -172.46 166.74 39.53 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.997 1.284 . . . . 0.0 113.24 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.79 168.21 54.17 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.273 0.94 . . . . 0.0 114.447 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -150.49 157.3 42.86 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.491 1.516 . . . . 0.0 111.686 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -68.8 154.52 41.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.951 0.9 . . . . 0.0 112.653 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.4 ptm -154.53 160.35 41.48 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.516 1.526 . . . . 0.0 111.805 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.193 0 C-N-CA 125.252 1.406 . . . . 0.0 113.138 178.206 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 58.6 ttm . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -58.99 143.93 99.55 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.506 2.804 . . . . 0.0 114.288 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -147.38 155.75 42.26 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.922 1.689 . . . . 0.0 112.641 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -50.59 -50.27 54.27 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 116.118 1.895 . . . . 0.0 116.118 170.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -68.94 -26.71 65.2 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -61.92 -49.06 77.68 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.198 0.908 . . . . 0.0 111.466 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -59.53 -41.11 89.28 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 169.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -67.03 -39.34 86.99 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.015 0.526 . . . . 0.0 111.13 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.5 -29.19 66.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.816 -1.178 . . . . 0.0 112.861 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 31.3 mmt-85 -68.74 -26.12 65.09 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.875 0.761 . . . . 0.0 113.026 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.66 -47.67 65.94 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.629 0.65 . . . . 0.0 110.219 168.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.9 mtm -74.82 -27.58 60.35 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.372 0.669 . . . . 0.0 112.481 -170.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -63.06 -27.01 69.11 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.612 1.165 . . . . 0.0 112.216 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.84 9.86 67.29 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.512 1.53 . . . . 0.0 114.29 169.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.41 162.05 54.44 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.94 1.257 . . . . 0.0 113.028 170.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.45 -65.9 2.01 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.832 1.206 . . . . 0.0 112.649 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -79.65 36.13 0.31 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.853 1.661 . . . . 0.0 112.451 170.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -85.02 169.16 14.24 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.752 1.621 . . . . 0.0 113.138 -170.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.89 -25.47 68.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.669 1.187 . . . . 0.0 113.05 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.268 30.2 t80 -48.79 133.43 17.49 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 172.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.435 22.4 t80 61.61 -0.01 0.44 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 -172.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 54.82 31.36 15.47 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.219 1.807 . . . . 0.0 113.268 -169.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.7 -21.53 76.46 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.182 0.896 . . . . 0.0 114.799 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 81.2 mmm -141.23 161.65 37.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.513 1.925 . . . . 0.0 112.363 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -62.54 161.69 11.59 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.328 1.451 . . . . 0.0 113.588 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 t -58.51 129.03 83.93 Favored Pre-proline 0 N--CA 1.476 0.825 0 C-N-CA 124.584 1.154 . . . . 0.0 112.838 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.48 137.12 35.5 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.249 2.633 . . . . 0.0 112.029 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -53.34 17.4 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -164.78 169.53 16.61 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.167 1.787 . . . . 0.0 108.335 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.25 148.85 50.53 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.091 0.853 . . . . 0.0 112.888 171.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 137.2 56.95 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.937 -0.743 . . . . 0.0 112.857 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 p -140.8 -10.17 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -175.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 p -74.46 150.28 39.98 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.71 1.204 . . . . 0.0 109.364 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 p -74.04 -38.37 64.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.429 1.092 . . . . 0.0 108.719 172.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -68.23 147.12 52.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.981 1.313 . . . . 0.0 112.251 170.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -151.44 132.07 13.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.931 1.293 . . . . 0.0 110.759 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 pt -79.92 154.53 75.39 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.037 0.935 . . . . 0.0 111.879 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -60.86 137.8 74.93 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.008 2.472 . . . . 0.0 113.183 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.05 154.0 31.79 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.16 0.984 . . . . 0.0 112.321 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.5 t -71.62 143.29 49.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.487 0.715 . . . . 0.0 112.106 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -81.73 -7.98 59.65 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.34 1.056 . . . . 0.0 113.657 173.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -72.05 151.05 43.41 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.134 0.974 . . . . 0.0 112.795 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -139.27 144.13 38.24 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.486 1.515 . . . . 0.0 112.042 -176.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.92 128.98 29.47 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.427 1.491 . . . . 0.0 114.67 176.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.24 140.54 30.78 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.208 1.003 . . . . 0.0 112.092 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.87 -20.99 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -171.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 48.73 82.21 0.24 Allowed Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 127.768 2.427 . . . . 0.0 113.125 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -65.56 161.04 40.2 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.435 2.09 . . . . 0.0 112.693 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -56.84 148.62 47.48 Favored Pre-proline 0 N--CA 1.479 0.994 0 C-N-CA 123.899 0.879 . . . . 0.0 112.289 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -55.88 -34.22 90.94 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.15 2.567 . . . . 0.0 114.477 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.32 -39.71 94.45 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.802 0.841 . . . . 0.0 112.351 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.0 tp -72.27 -44.25 63.07 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.619 0.767 . . . . 0.0 111.12 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.3 tp -53.91 -42.05 68.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.225 0.61 . . . . 0.0 111.549 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -62.3 -34.59 76.87 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.47 -38.3 89.28 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.681 -0.637 . . . . 0.0 111.023 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.64 -40.99 88.95 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.58 -0.7 . . . . 0.0 111.516 169.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -59.34 -32.35 70.01 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.435 -1.415 . . . . 0.0 112.887 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.1 m -64.87 -15.16 61.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.656 1.183 . . . . 0.0 113.638 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -117.87 21.92 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.258 1.823 . . . . 0.0 112.496 170.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.2 22.82 58.33 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 116.673 1.429 . . . . 0.0 116.673 169.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.68 120.53 10.8 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.03 1.415 . . . . 0.0 112.375 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -80.67 -47.4 14.1 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -169.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -72.2 171.99 11.04 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.844 1.658 . . . . 0.0 112.684 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -111.38 3.87 18.54 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.549 1.94 . . . . 0.0 115.591 169.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -143.19 141.88 31.27 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.748 2.019 . . . . 0.0 106.772 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -148.72 159.3 44.26 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -169.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -78.54 162.03 26.61 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 165.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.2 mmm -54.18 -42.04 69.22 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.742 -1.224 . . . . 0.0 112.747 172.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -68.26 -37.34 80.65 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.422 0.689 . . . . 0.0 112.441 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -65.48 -43.13 91.2 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.878 0.763 . . . . 0.0 113.015 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.16 -49.02 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.066 0.546 . . . . 0.0 110.577 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.49 -42.55 82.93 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.693 174.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -53.56 -57.95 8.91 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -59.63 -40.8 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.54 -44.01 95.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.347 1.059 . . . . 0.0 111.845 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.79 98.49 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.752 0.691 . . . . 0.0 112.67 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -63.33 -30.74 71.82 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.039 0.92 . . . . 0.0 112.76 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -69.33 -48.79 60.42 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.412 -0.805 . . . . 0.0 112.79 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.86 -42.26 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.841 1.256 . . . . 0.0 110.85 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 50.2 ttm -63.3 -56.32 17.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.368 1.467 . . . . 0.0 112.274 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -64.55 -34.12 77.5 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.17 1.545 . . . . 0.0 115.17 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -78.77 -10.48 59.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.689 1.595 . . . . 0.0 113.89 172.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 51.93 45.31 28.47 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 127.635 2.374 . . . . 0.0 113.558 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.2 mt -77.53 -7.63 56.57 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -63.76 146.5 53.78 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 170.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.88 134.02 52.16 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.63 -27.68 67.88 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -79.21 -46.72 17.31 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.647 0.779 . . . . 0.0 110.812 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -131.82 102.34 5.82 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.954 1.302 . . . . 0.0 112.58 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -66.83 -13.9 62.08 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -74.46 -0.14 16.5 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 170.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.0 mt -120.04 140.49 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.178 1.791 . . . . 0.0 109.66 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.4 t -119.56 139.78 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.088 1.755 . . . . 0.0 110.39 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -124.45 128.3 48.8 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.936 2.094 . . . . 0.0 114.267 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.1 t -160.38 108.92 1.67 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.083 0.953 . . . . 0.0 109.832 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 76.8 p -118.56 147.06 44.09 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.532 1.533 . . . . 0.0 111.95 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.267 0.8 OUTLIER 48.4 32.38 3.25 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 127.062 2.145 . . . . 0.0 115.72 -178.238 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -144.37 167.8 21.6 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.618 1.567 . . . . 0.0 109.65 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.4 tp -49.22 -51.91 30.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.101 1.76 . . . . 0.0 115.201 -167.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.78 -35.82 81.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.311 0.96 . . . . 0.0 113.134 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.77 -34.57 83.35 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.955 0.788 . . . . 0.0 112.779 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.13 -34.02 76.69 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 172.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.94 -57.86 5.51 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.663 0.785 . . . . 0.0 111.556 169.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.302 42.7 m-85 -67.44 -23.37 65.51 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 118.081 2.623 . . . . 0.0 118.081 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.13 16.74 76.94 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.063 0.839 . . . . 0.0 114.409 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.79 151.68 63.63 Favored Pre-proline 0 N--CA 1.475 0.803 0 C-N-CA 126.115 1.766 . . . . 0.0 109.413 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -71.13 -21.85 26.71 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.642 2.895 . . . . 0.0 113.235 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -162.4 160.38 26.38 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.282 1.433 . . . . 0.0 112.34 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -154.55 158.16 39.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.885 0.874 . . . . 0.0 110.723 172.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.0 t -91.94 125.18 36.54 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.03 0.932 . . . . 0.0 111.625 171.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.29 -30.24 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.352 1.461 . . . . 0.0 112.632 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.31 -25.71 67.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.624 1.97 . . . . 0.0 113.305 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.65 62.1 3.83 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.15 1.38 . . . . 0.0 111.534 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -55.47 -43.98 76.01 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -169.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -60.9 -39.58 89.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.818 0.847 . . . . 0.0 113.132 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -67.49 -40.1 85.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.26 1.024 . . . . 0.0 111.405 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.23 -46.04 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.143 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -56.77 -43.45 80.85 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.278 1.2 t -66.95 -36.9 83.26 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.13 -39.64 90.02 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.247 -0.908 . . . . 0.0 112.456 171.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.3 mmm -67.34 -41.36 85.31 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.03 0.932 . . . . 0.0 111.915 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.19 -34.13 74.57 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.334 0.654 . . . . 0.0 111.904 173.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.7 m -67.79 -9.33 43.29 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.4 mtt -102.18 4.18 39.16 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.644 1.578 . . . . 0.0 113.74 172.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.7 p -132.52 -34.44 1.19 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.95 172.91 54.96 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.29 1.424 . . . . 0.0 114.054 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.52 175.18 53.34 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.637 1.113 . . . . 0.0 114.418 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -150.98 161.66 42.3 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.584 1.554 . . . . 0.0 111.883 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -73.42 -16.9 61.31 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.309 1.044 . . . . 0.0 113.244 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.3 ttp 63.66 -34.16 0.14 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 129.237 3.015 . . . . 0.0 116.526 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 C-N-CA 125.683 1.611 . . . . 0.0 113.866 173.665 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 36.5 tpp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.65 148.01 93.96 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.917 2.411 . . . . 0.0 112.364 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -70.7 161.33 31.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.205 1.002 . . . . 0.0 112.314 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -48.51 -51.77 25.72 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -65.65 -32.54 74.17 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.32 -26.19 68.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.879 0.872 . . . . 0.0 112.474 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -83.54 -43.55 15.61 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 166.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -64.41 -32.99 74.84 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.258 1.023 . . . . 0.0 112.394 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 24.8 tp -56.86 -31.32 64.69 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.312 1.045 . . . . 0.0 112.691 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -72.63 -19.16 61.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.316 1.046 . . . . 0.0 112.186 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.54 -50.36 38.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.684 0.793 . . . . 0.0 111.766 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.7 ptp -70.9 -30.03 66.26 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.804 -0.56 . . . . 0.0 111.537 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -83.71 26.09 0.73 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.695 1.598 . . . . 0.0 112.79 169.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.34 -20.74 51.89 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.474 1.511 . . . . 0.0 115.953 -172.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.62 -16.32 71.8 Favored Glycine 0 CA--C 1.541 1.671 0 CA-C-N 118.582 1.191 . . . . 0.0 114.373 170.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.23 2.6 83.67 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.989 1.757 . . . . 0.0 114.944 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -129.06 171.05 12.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.889 1.676 . . . . 0.0 112.059 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.2 -23.8 64.3 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -169.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.4 tp 50.2 -93.07 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.696 2.398 . . . . 0.0 113.674 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.296 49.1 m-85 -126.47 10.39 7.29 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 117.652 2.464 . . . . 0.0 117.652 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.373 52.2 m-85 -60.44 153.82 22.12 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 118.53 2.789 . . . . 0.0 118.53 -175.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 67.58 122.37 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 128.545 2.738 . . . . 0.0 113.457 -169.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.71 -8.53 10.55 Favored Glycine 0 CA--C 1.545 1.925 0 C-N-CA 125.126 1.346 . . . . 0.0 114.577 -169.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 32.9 tpp -162.02 158.21 24.67 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 129.586 3.155 . . . . 0.0 108.264 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 p -90.52 -87.64 0.19 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.099 0.96 . . . . 0.0 110.021 167.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.7 t -140.33 126.62 11.89 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 127.342 2.257 . . . . 0.0 110.998 171.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.18 153.21 56.82 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 124.273 3.316 . . . . 0.0 112.799 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.99 113.89 5.35 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 170.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 p30 -86.03 -21.08 27.94 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.54 -169.31 42.39 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.541 1.543 . . . . 0.0 112.619 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.55 144.42 55.63 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 122.062 -0.669 . . . . 0.0 111.975 173.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 m -134.23 150.92 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.313 1.445 . . . . 0.0 113.604 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -65.13 152.56 43.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.896 1.278 . . . . 0.0 114.046 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.63 -1.11 56.81 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 170.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.9 m -77.98 41.84 0.37 Allowed 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 -171.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 -75.41 45.65 0.31 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.091 1.356 . . . . 0.0 112.962 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.3 pt -75.23 164.45 61.11 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.537 1.535 . . . . 0.0 111.507 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -63.96 -30.08 66.95 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.012 2.474 . . . . 0.0 114.64 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.51 155.0 39.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.511 1.124 . . . . 0.0 112.833 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -68.19 134.28 50.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.298 0.639 . . . . 0.0 112.335 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -143.18 155.78 44.62 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.713 1.605 . . . . 0.0 112.518 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -71.13 150.05 45.82 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.147 0.979 . . . . 0.0 112.167 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.7 mp0 -65.83 159.41 25.43 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.7 1.2 . . . . 0.0 112.857 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.42 132.71 51.94 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.58 148.76 33.18 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.139 0.976 . . . . 0.0 112.34 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 m -132.95 163.66 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.57 2.348 . . . . 0.0 112.831 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -100.57 92.04 2.08 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 124.537 1.135 . . . . 0.0 111.085 169.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.98 153.35 76.41 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 121.87 1.713 . . . . 0.0 112.293 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -59.03 151.56 55.51 Favored Pre-proline 0 N--CA 1.476 0.872 0 C-N-CA 124.285 1.034 . . . . 0.0 112.231 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.73 -35.26 93.01 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.029 2.486 . . . . 0.0 113.96 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.33 -38.77 90.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.431 1.092 . . . . 0.0 112.277 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.5 tp -74.93 -44.54 47.99 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.397 0.679 . . . . 0.0 111.402 174.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.6 tp -55.01 -38.87 68.44 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.805 0.842 . . . . 0.0 111.87 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -59.06 -40.57 85.56 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.995 0.918 . . . . 0.0 113.134 170.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -66.07 -45.19 82.19 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.066 0.947 . . . . 0.0 111.99 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.93 -43.14 91.11 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.393 0.677 . . . . 0.0 110.51 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -72.24 -24.34 61.36 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.776 1.23 . . . . 0.0 114.199 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.9 m -64.63 -23.3 67.22 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.706 0.803 . . . . 0.0 112.606 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 m -105.09 14.41 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.809 1.644 . . . . 0.0 113.418 168.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.61 28.13 36.63 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.169 1.366 . . . . 0.0 116.148 168.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 132.53 44.48 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.181 1.49 . . . . 0.0 111.202 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -88.27 -32.58 18.42 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -84.8 171.63 12.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.621 1.568 . . . . 0.0 114.377 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -108.47 4.83 24.67 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.499 1.919 . . . . 0.0 113.824 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.98 142.34 28.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.072 2.149 . . . . 0.0 106.378 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -144.03 152.56 41.17 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.25 1.0 OUTLIER -77.01 158.79 30.37 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 166.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.9 mmm -60.74 -34.11 73.94 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.883 -1.136 . . . . 0.0 112.493 174.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -67.99 -41.95 81.51 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.851 0.861 . . . . 0.0 111.917 172.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.88 -41.99 99.61 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.862 0.755 . . . . 0.0 112.778 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.94 -49.98 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.294 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.28 -45.21 88.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.394 0.997 . . . . 0.0 111.347 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -54.39 -56.89 14.09 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -64.76 -36.86 85.68 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 175.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.79 -42.91 97.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.238 1.015 . . . . 0.0 111.368 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.07 -43.31 98.96 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 123.752 0.691 . . . . 0.0 112.905 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.35 -33.86 73.02 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.7 1.25 . . . . 0.0 113.177 173.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -67.86 -49.49 61.81 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 173.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.56 -40.57 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.202 1.001 . . . . 0.0 111.08 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 31.8 ttm -61.81 -57.9 10.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.93 1.692 . . . . 0.0 111.986 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -63.41 -32.0 73.31 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -80.18 -15.7 56.48 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.834 1.654 . . . . 0.0 114.336 173.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 51.55 48.88 22.05 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.872 2.069 . . . . 0.0 113.484 -174.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.2 mt -75.44 -7.71 54.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -65.87 150.16 49.04 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.13 149.46 49.58 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -72.18 -38.76 69.03 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.844 -1.16 . . . . 0.0 112.62 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -87.56 -31.61 19.8 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.396 1.478 . . . . 0.0 114.466 -172.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -130.53 89.53 2.79 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.127 1.371 . . . . 0.0 108.89 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -70.61 -4.98 25.97 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -168.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -84.21 -8.41 59.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.844 1.258 . . . . 0.0 113.159 168.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.3 mt -96.53 138.94 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 120.138 1.335 . . . . 0.0 109.748 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 t -121.81 134.17 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.27 1.828 . . . . 0.0 112.453 -176.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -125.41 124.05 40.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.84 2.056 . . . . 0.0 114.3 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.0 t -156.67 48.69 0.46 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.652 0.739 . . . . 0.0 111.907 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.4 p -59.88 136.32 57.97 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.96 -1.088 . . . . 0.0 112.333 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 56.6 21.79 6.08 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.231 1.813 . . . . 0.0 115.835 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -132.96 167.66 19.87 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.975 1.31 . . . . 0.0 112.114 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.0 tp -47.62 -40.79 20.44 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -166.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.61 -40.83 84.68 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.807 1.185 . . . . 0.0 112.297 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.84 -33.86 66.08 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.391 0.52 . . . . 0.0 112.428 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.07 -34.37 77.89 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.9 mt -70.46 -57.42 4.81 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.725 1.21 . . . . 0.0 112.149 170.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.28 46.1 m-85 -68.21 -19.69 64.78 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 -178.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.9 16.87 80.37 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.404 1.002 . . . . 0.0 114.249 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 m -143.57 151.22 53.42 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.967 1.707 . . . . 0.0 109.485 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.1 -25.15 22.86 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.396 2.731 . . . . 0.0 113.189 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.4 p -158.17 159.78 36.51 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.207 1.403 . . . . 0.0 112.601 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -157.79 171.18 20.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.194 1.397 . . . . 0.0 107.749 174.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.6 t -118.04 132.16 56.39 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.365 -0.834 . . . . 0.0 112.257 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.9 t -58.13 -22.43 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.541 1.536 . . . . 0.0 113.339 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -60.89 -22.75 64.62 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.251 1.421 . . . . 0.0 113.026 171.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -84.37 -1.13 54.99 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -170.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 35.08 -85.66 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.432 2.693 . . . . 0.0 116.249 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.2 mtm-85 -47.37 -41.72 20.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.031 1.732 . . . . 0.0 114.183 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -64.28 -41.1 97.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.312 0.645 . . . . 0.0 111.014 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.02 -46.14 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.516 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -60.79 -43.31 98.26 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.805 1.184 . . . . 0.0 110.942 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.287 1.0 OUTLIER -68.41 -37.25 80.15 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 177.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.8 mtm -67.91 -45.13 75.28 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.409 -0.807 . . . . 0.0 112.105 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -72.09 -20.86 61.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.933 0.893 . . . . 0.0 112.246 -173.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.26 69.03 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.564 -0.71 . . . . 0.0 112.889 170.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.2 p -67.81 -15.93 63.86 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.932 -1.105 . . . . 0.0 113.181 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 47.1 mtt -80.06 -8.62 59.48 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.785 -1.197 . . . . 0.0 112.869 176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 p -135.55 -14.65 1.92 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.33 -124.46 0.86 Allowed Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.338 0.97 . . . . 0.0 113.526 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.88 -179.64 51.04 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.346 1.45 . . . . 0.0 114.351 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -76.58 39.55 0.21 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.683 1.593 . . . . 0.0 112.736 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -78.18 138.3 38.61 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.787 2.035 . . . . 0.0 112.521 -170.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -156.27 163.96 38.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.249 1.42 . . . . 0.0 112.173 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.33 0 C-N-CA 125.37 1.462 . . . . 0.0 113.714 -179.588 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -67.54 157.93 59.49 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.375 2.717 . . . . 0.0 112.583 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -133.7 5.23 3.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.88 1.672 . . . . 0.0 115.08 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -43.73 -46.7 7.69 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 172.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -65.85 -26.29 67.59 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -65.12 -41.62 94.69 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.507 1.049 . . . . 0.0 111.119 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -63.81 -43.1 97.28 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 170.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -69.14 -42.18 76.34 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.354 0.662 . . . . 0.0 111.557 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.14 -34.19 68.16 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.848 1.259 . . . . 0.0 112.79 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.46 -37.84 82.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.83 1.252 . . . . 0.0 111.762 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.49 -46.27 86.91 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.942 1.297 . . . . 0.0 111.572 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.7 mtm -74.45 -34.85 63.29 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.525 0.73 . . . . 0.0 111.485 -172.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -73.81 -10.87 60.11 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.969 1.308 . . . . 0.0 113.572 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.04 24.0 72.92 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.096 0.855 . . . . 0.0 114.56 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.29 28.18 0.83 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.356 1.931 . . . . 0.0 117.215 -169.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.82 128.8 4.92 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-N 119.009 1.404 . . . . 0.0 112.237 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.4 mp0 -73.97 -9.84 59.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.53 1.532 . . . . 0.0 114.105 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -72.21 72.94 0.93 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.487 1.515 . . . . 0.0 111.587 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.02 6.59 0.6 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.825 1.65 . . . . 0.0 113.687 -174.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -65.98 -27.49 68.18 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 -174.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -64.49 153.64 38.3 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 170.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -144.12 143.11 30.98 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.915 1.286 . . . . 0.0 111.251 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.29 -151.0 15.42 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.652 1.12 . . . . 0.0 112.661 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.8 ptm -74.75 9.23 1.93 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 t -149.97 168.8 22.78 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.423 1.489 . . . . 0.0 112.224 -175.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.9 t 64.88 124.38 0.02 OUTLIER Pre-proline 0 N--CA 1.479 0.995 0 C-N-CA 128.469 2.708 . . . . 0.0 113.891 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.9 136.47 16.7 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.724 2.949 . . . . 0.0 111.247 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.398 0.2 OUTLIER -74.63 39.94 0.13 Allowed 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 178.064 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -114.35 -11.27 12.56 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 117.348 2.351 . . . . 0.0 117.348 -169.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.17 -152.78 9.28 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.17 1.367 . . . . 0.0 114.202 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 53.67 39.68 30.49 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.813 1.645 . . . . 0.0 114.021 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -144.1 143.64 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.222 1.409 . . . . 0.0 113.292 -174.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 p -128.83 -4.66 5.15 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -174.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.21 134.23 56.34 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.0 m -72.39 -26.21 61.79 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -76.52 155.18 33.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.752 1.221 . . . . 0.0 112.898 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.96 151.33 65.06 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 125.992 1.717 . . . . 0.0 111.427 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.06 127.54 13.7 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.987 2.458 . . . . 0.0 112.298 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -21.71 65.53 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.4 m -71.84 -12.4 61.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.269 1.427 . . . . 0.0 114.767 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . 0.256 22.3 pt-20 48.05 35.1 4.75 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.943 2.097 . . . . 0.0 115.254 173.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 pm0 -74.81 -5.68 44.82 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -54.88 134.81 48.45 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.29 143.23 48.8 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 117.77 2.507 . . . . 0.0 117.77 -169.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.7 148.52 42.61 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.225 1.01 . . . . 0.0 111.563 169.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.64 -20.68 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -174.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 51.7 70.33 2.0 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 127.018 2.127 . . . . 0.0 113.219 -169.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -71.51 163.99 37.19 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.092 2.528 . . . . 0.0 113.926 -173.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 30.0 mtmt -58.15 150.07 53.92 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 124.625 1.17 . . . . 0.0 112.524 176.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -61.46 -31.29 87.86 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.674 2.249 . . . . 0.0 112.62 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.67 -40.53 95.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.663 1.185 . . . . 0.0 112.47 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.79 -48.31 54.9 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.879 0.872 . . . . 0.0 111.282 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.6 tp -53.89 -39.53 65.84 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.038 0.935 . . . . 0.0 112.135 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.89 -41.24 82.16 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.213 1.005 . . . . 0.0 112.99 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tt -65.09 -43.43 92.14 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.048 0.939 . . . . 0.0 111.707 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.62 -42.56 99.66 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.678 0.672 . . . . 0.0 111.291 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -73.84 -21.13 60.23 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.418 1.087 . . . . 0.0 113.832 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 m -65.0 -21.44 66.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.662 0.785 . . . . 0.0 112.445 168.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 m -108.04 19.35 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.689 1.596 . . . . 0.0 113.74 169.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.1 23.62 47.97 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 116.898 1.519 . . . . 0.0 116.898 168.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.55 133.91 56.26 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 119.106 1.453 . . . . 0.0 111.851 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -85.74 -52.21 5.93 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.236 -0.915 . . . . 0.0 113.379 -170.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.53 171.14 15.04 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.69 1.996 . . . . 0.0 112.849 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -99.43 -3.19 34.27 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -138.02 145.15 41.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.201 1.401 . . . . 0.0 108.415 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -147.39 161.58 40.73 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.926 1.69 . . . . 0.0 115.094 -172.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -83.87 166.03 18.25 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.269 1.428 . . . . 0.0 114.005 168.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.4 mmt -54.54 -43.13 71.68 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.497 1.044 . . . . 0.0 112.647 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -60.57 -48.33 82.23 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.644 1.178 . . . . 0.0 111.516 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.59 -40.02 84.82 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.59 -49.3 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.34 0.518 . . . . 0.0 110.042 174.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.28 -42.2 90.71 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.639 0.654 . . . . 0.0 110.993 176.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -53.99 -58.71 6.29 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -58.76 -39.43 80.97 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.1 tp -65.74 -44.54 85.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.48 1.112 . . . . 0.0 111.896 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.19 98.05 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 123.65 0.643 . . . . 0.0 112.772 174.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -63.36 -32.15 73.49 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.144 0.972 . . . . 0.0 112.513 172.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -65.81 -49.47 68.15 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 169.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.6 mt -60.39 -38.1 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.389 1.076 . . . . 0.0 111.272 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.0 ttm -62.86 -57.48 10.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.298 1.439 . . . . 0.0 111.958 173.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -67.38 -35.45 79.35 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -80.76 -10.24 59.74 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.836 1.254 . . . . 0.0 113.55 170.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 54.8 46.5 24.4 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.3 2.64 . . . . 0.0 113.045 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.1 mt -78.64 -6.29 55.29 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -74.43 151.76 39.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 174.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -67.03 129.8 41.07 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.693 -1.254 . . . . 0.0 112.322 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -61.35 -29.06 69.66 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.202 -0.936 . . . . 0.0 112.835 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -81.59 -68.08 0.72 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.603 1.161 . . . . 0.0 111.206 172.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -83.76 81.43 8.76 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.23 1.012 . . . . 0.0 110.951 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -58.6 -23.67 59.29 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.777 1.231 . . . . 0.0 112.848 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -84.2 5.93 24.58 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.678 1.591 . . . . 0.0 114.447 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.8 mt -126.12 130.98 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 120.075 1.307 . . . . 0.0 110.447 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 p -105.63 139.87 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.434 1.493 . . . . 0.0 111.501 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.322 70.7 m-85 -110.5 59.95 0.61 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.661 1.984 . . . . 0.0 116.136 -172.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.8 p -67.72 48.61 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.589 2.355 . . . . 0.0 115.688 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -85.47 124.21 31.8 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.562 -1.336 . . . . 0.0 111.92 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 54.8 26.37 7.62 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.134 1.774 . . . . 0.0 115.621 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -120.59 179.87 4.2 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.188 1.795 . . . . 0.0 113.574 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 63.9 tp -56.35 -40.82 75.12 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.524 -0.735 . . . . 0.0 111.872 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.1 tp -64.89 -37.33 87.27 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.46 -34.55 90.24 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.177 0.894 . . . . 0.0 113.09 170.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.41 -32.82 73.97 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 171.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.07 -57.82 4.16 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.807 0.843 . . . . 0.0 112.285 169.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.273 38.7 m-85 -75.67 -24.06 56.29 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 118.611 2.819 . . . . 0.0 118.611 -175.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.44 17.37 78.94 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 123.949 0.785 . . . . 0.0 114.887 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.45 152.15 68.38 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 125.825 1.65 . . . . 0.0 109.521 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.31 -18.77 17.81 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.908 3.072 . . . . 0.0 113.805 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.4 p -166.34 159.77 15.12 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.712 1.605 . . . . 0.0 111.556 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -155.65 152.64 28.91 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.598 0.713 . . . . 0.0 112.096 168.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 p -80.14 127.78 32.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.576 1.15 . . . . 0.0 112.052 169.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.3 t -72.26 -21.06 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.839 2.056 . . . . 0.0 112.561 -175.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.98 -34.54 71.94 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -84.74 94.44 8.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.654 0.782 . . . . 0.0 112.661 -172.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -50.98 -54.1 27.41 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.544 1.538 . . . . 0.0 113.103 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -56.97 -43.38 81.56 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.737 1.215 . . . . 0.0 112.66 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.57 -47.82 84.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.386 1.474 . . . . 0.0 111.86 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 68.9 mt -74.36 -40.05 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 122.875 0.47 . . . . 0.0 111.162 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.68 -41.12 97.13 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.295 1.2 t -69.45 -34.65 74.7 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 173.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.24 -27.94 64.85 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.055 -1.028 . . . . 0.0 113.319 169.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.7 mmt -65.29 -32.22 73.77 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.383 0.992 . . . . 0.0 113.063 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.77 -30.67 70.95 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.572 -0.705 . . . . 0.0 112.765 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.5 t -71.24 -18.67 62.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.428 1.091 . . . . 0.0 113.121 172.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.411 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 43.5 mtt -88.64 -1.69 58.2 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.468 -1.395 . . . . 0.0 114.217 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 p -133.84 7.45 3.76 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -169.49 -176.87 39.67 Favored Glycine 0 CA--C 1.536 1.353 0 O-C-N 121.334 -0.854 . . . . 0.0 114.716 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.0 154.65 22.46 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.47 1.51 . . . . 0.0 114.202 -177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -78.45 46.22 0.62 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.456 1.902 . . . . 0.0 113.167 -176.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -78.77 48.77 0.84 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.165 1.786 . . . . 0.0 113.68 -171.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 64.1 ttp -68.9 -29.43 67.71 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.119 1.368 . . . . 0.0 113.317 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 125.697 1.617 . . . . 0.0 112.997 178.627 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 18.5 tpt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 118.869 -0.586 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -67.29 141.14 55.62 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.808 2.338 . . . . 0.0 111.755 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -73.89 -5.55 41.82 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -51.76 -51.39 56.59 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 174.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -69.72 -34.56 74.04 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -168.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.6 -33.09 75.12 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.789 1.177 . . . . 0.0 112.258 175.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -69.93 -41.8 74.13 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 168.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -69.32 -36.91 77.44 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.349 0.66 . . . . 0.0 112.014 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.78 -32.43 71.75 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.72 -1.238 . . . . 0.0 112.464 175.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -68.29 -21.43 64.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.569 1.148 . . . . 0.0 112.887 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.26 -59.1 5.18 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.798 0.726 . . . . 0.0 110.719 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.1 ptp -69.64 -34.1 73.56 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.137 0.426 . . . . 0.0 111.771 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -74.57 -34.2 62.86 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.354 1.062 . . . . 0.0 112.908 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.79 -2.4 69.57 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.28 1.419 . . . . 0.0 115.316 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.64 33.18 1.01 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 126.247 1.88 . . . . 0.0 116.774 -169.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.77 45.62 1.92 Allowed Glycine 0 CA--C 1.538 1.53 0 C-N-CA 126.261 1.886 . . . . 0.0 115.172 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.269 21.7 pt-20 50.19 25.65 1.86 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.991 2.516 . . . . 0.0 115.916 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -70.99 -6.47 39.07 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 tp -80.38 58.24 3.06 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.923 1.289 . . . . 0.0 113.012 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.272 3.3 p90 -98.11 -7.94 28.62 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 171.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -60.97 96.12 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -173.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 56.84 40.53 28.92 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.223 1.409 . . . . 0.0 111.647 -168.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.71 -175.2 43.56 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.431 1.491 . . . . 0.0 113.885 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 77.7 mtm -77.91 -14.64 59.48 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.7 m -78.48 50.35 0.94 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.743 1.217 . . . . 0.0 114.188 -175.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 t 68.57 138.69 0.06 OUTLIER Pre-proline 0 N--CA 1.481 1.086 0 C-N-CA 126.126 1.771 . . . . 0.0 113.742 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -53.99 129.54 34.8 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 123.432 2.755 . . . . 0.0 112.76 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -69.27 -23.21 63.81 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -148.73 137.13 21.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.182 1.793 . . . . 0.0 111.309 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.1 -132.16 39.47 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 123.751 0.691 . . . . 0.0 112.976 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.07 166.51 25.89 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.376 1.47 . . . . 0.0 111.921 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -62.33 156.67 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.958 0.903 . . . . 0.0 113.194 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.291 1.1 p -60.54 143.68 53.14 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -78.39 161.11 27.39 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.7 p -139.32 145.2 38.78 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.643 1.177 . . . . 0.0 112.554 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -106.5 2.3 26.14 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.291 1.836 . . . . 0.0 113.049 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.8 pt -141.13 150.51 59.08 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 126.658 1.983 . . . . 0.0 111.288 -174.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.01 147.65 68.19 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.484 2.789 . . . . 0.0 113.439 -176.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.59 155.19 33.96 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.736 1.214 . . . . 0.0 111.94 169.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -67.6 143.91 55.83 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -82.15 66.43 7.73 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.172 1.389 . . . . 0.0 111.294 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -66.51 134.71 52.98 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.085 0.954 . . . . 0.0 112.739 -177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -85.67 -4.61 59.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.734 1.214 . . . . 0.0 114.179 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.64 129.24 40.99 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 116.674 2.101 . . . . 0.0 116.674 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.6 mt -86.05 126.24 34.03 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.379 1.072 . . . . 0.0 111.288 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.08 -24.91 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -170.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? 56.01 73.17 0.87 Allowed Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 126.863 2.065 . . . . 0.0 112.821 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.61 160.54 43.89 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.093 2.529 . . . . 0.0 112.653 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -57.53 148.85 53.58 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.59 1.156 . . . . 0.0 112.065 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -62.34 -31.68 81.56 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.708 2.272 . . . . 0.0 112.84 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.57 -39.85 95.46 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.389 1.076 . . . . 0.0 112.348 174.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.6 tp -71.2 -45.21 63.84 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.713 0.805 . . . . 0.0 111.153 174.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -53.16 -45.9 68.64 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.88 -0.581 . . . . 0.0 111.406 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -56.85 -36.02 69.53 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.327 1.051 . . . . 0.0 113.448 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tt -62.67 -37.56 86.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.663 0.785 . . . . 0.0 111.414 172.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.01 -42.16 81.13 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.976 0.91 . . . . 0.0 111.485 170.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -32.94 70.18 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.53 -1.356 . . . . 0.0 112.187 176.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 m -64.74 -17.71 64.39 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.788 1.235 . . . . 0.0 113.792 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 m -113.81 21.15 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 125.861 1.665 . . . . 0.0 112.243 170.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.07 22.34 57.55 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 130.08 43.31 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 119.085 1.442 . . . . 0.0 110.933 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -93.21 -37.95 11.81 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.099 1.888 . . . . 0.0 116.099 -168.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -77.66 170.41 16.62 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.874 1.67 . . . . 0.0 112.17 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -102.57 -2.58 28.21 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 168.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -145.07 147.57 32.72 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.982 1.713 . . . . 0.0 107.443 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -147.74 161.67 40.74 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.681 1.593 . . . . 0.0 114.386 -169.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -80.52 161.77 24.65 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 166.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.7 mtp -55.57 -39.91 71.29 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.654 -1.279 . . . . 0.0 112.832 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -65.68 -42.77 90.89 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.254 1.021 . . . . 0.0 111.744 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.15 -43.58 94.78 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.4 t -63.07 -48.82 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.518 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.1 mt -57.69 -41.63 82.04 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.96 0.8 . . . . 0.0 111.925 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.251 26.3 t80 -55.11 -56.77 16.16 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 171.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -61.89 -41.8 98.32 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.0 -43.69 98.07 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.614 1.166 . . . . 0.0 111.497 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.04 -42.98 99.76 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.55 0.595 . . . . 0.0 112.879 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -64.58 -32.68 74.43 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.205 1.402 . . . . 0.0 112.525 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -68.59 -50.08 54.37 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.709 0.804 . . . . 0.0 112.287 173.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.19 -41.44 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 111.217 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 48.1 ttm -61.8 -55.37 30.76 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.317 1.447 . . . . 0.0 112.197 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -66.68 -34.44 77.87 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -76.61 -13.14 60.09 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.576 1.55 . . . . 0.0 113.77 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 53.45 44.55 29.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.402 2.281 . . . . 0.0 113.201 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.9 mt -75.69 -8.18 56.17 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -63.73 149.06 47.56 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.988 1.848 . . . . 0.0 115.988 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -63.64 148.03 50.03 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.361 -0.837 . . . . 0.0 111.426 169.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -67.58 -34.58 77.33 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.747 -1.221 . . . . 0.0 112.094 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -89.43 -59.86 2.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.139 1.376 . . . . 0.0 110.735 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -96.4 78.03 3.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.786 1.234 . . . . 0.0 109.923 176.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -65.91 -12.85 57.73 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.276 -0.89 . . . . 0.0 113.334 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -77.31 -3.02 37.81 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.231 1.412 . . . . 0.0 113.696 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.3 mt -108.19 127.28 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.687 1.595 . . . . 0.0 109.957 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.9 t -99.74 131.15 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.519 1.528 . . . . 0.0 110.529 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.257 45.5 m-85 -98.76 92.34 5.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.366 1.866 . . . . 0.0 115.481 173.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.405 ' HG ' ' CD2' ' A' ' 88' ' ' LEU . 4.0 m -79.07 -13.84 59.51 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.513 1.525 . . . . 0.0 113.046 -175.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -55.48 141.26 37.48 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.348 1.459 . . . . 0.0 113.762 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 57.38 20.27 5.79 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.673 1.989 . . . . 0.0 115.402 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -128.43 165.74 20.07 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.988 1.715 . . . . 0.0 113.647 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.3 tp -49.52 -38.99 32.62 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.593 1.157 . . . . 0.0 112.182 170.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.405 ' CD2' ' HG ' ' A' ' 83' ' ' CYS . 31.8 tp -59.61 -35.93 75.31 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.02 -30.43 72.16 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.025 0.821 . . . . 0.0 113.107 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -67.72 -29.88 69.23 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 170.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.94 -66.27 0.81 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.922 0.889 . . . . 0.0 111.332 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.301 32.2 m-85 -68.09 -21.59 64.95 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 -172.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.91 17.38 75.32 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 123.881 0.753 . . . . 0.0 114.856 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 m -136.68 153.97 76.2 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 126.109 1.764 . . . . 0.0 109.694 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.13 -28.34 23.6 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.129 2.553 . . . . 0.0 112.957 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -163.93 163.5 23.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.352 1.461 . . . . 0.0 112.343 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -154.39 154.83 33.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.259 1.024 . . . . 0.0 109.993 170.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.8 t -88.16 127.86 35.44 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.509 0.724 . . . . 0.0 111.335 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.39 -23.59 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.681 1.592 . . . . 0.0 112.446 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.53 -26.02 66.57 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.895 1.278 . . . . 0.0 113.62 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -79.44 55.13 1.86 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.415 1.086 . . . . 0.0 112.44 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -51.13 -43.73 61.22 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.309 1.044 . . . . 0.0 112.177 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.4 ptt85 -54.61 -35.16 63.09 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.317 1.847 . . . . 0.0 115.128 174.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -80.28 -45.32 18.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.733 1.213 . . . . 0.0 110.421 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.24 -41.27 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.751 0.82 . . . . 0.0 111.007 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -56.63 -45.15 81.7 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.294 0.7 OUTLIER -68.79 -36.5 78.34 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 173.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 67.1 mtm -64.44 -41.22 96.69 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.555 -0.716 . . . . 0.0 112.154 172.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.4 mmm -66.71 -43.07 85.3 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.893 0.877 . . . . 0.0 111.915 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.35 72.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.502 0.721 . . . . 0.0 112.62 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -69.07 -16.21 63.63 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.3 mtt -92.09 5.81 48.85 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.353 0.8 OUTLIER -125.73 126.19 44.21 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.593 1.557 . . . . 0.0 113.118 -178.122 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.14 -165.52 21.28 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 123.725 0.679 . . . . 0.0 112.31 -167.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.72 15.86 60.44 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 117.003 1.561 . . . . 0.0 117.003 169.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -69.74 -23.8 63.45 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 118.864 1.332 . . . . 0.0 113.377 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -65.43 139.38 58.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.663 1.185 . . . . 0.0 112.146 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 77.4 mtm -139.09 156.5 47.11 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.733 1.613 . . . . 0.0 111.912 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 C-N-CA 125.251 1.405 . . . . 0.0 112.943 -179.388 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 62.3 tpp . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -59.2 156.24 35.96 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.696 2.93 . . . . 0.0 114.577 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -135.65 159.92 40.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.997 1.319 . . . . 0.0 113.859 -175.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -49.35 -45.59 45.84 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 117.871 2.545 . . . . 0.0 117.871 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -57.96 -22.9 51.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.93 -37.3 81.82 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.159 0.984 . . . . 0.0 112.827 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -68.02 -42.16 81.07 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -69.5 -36.38 76.44 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.229 0.612 . . . . 0.0 111.403 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.56 -29.7 69.33 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.852 -1.155 . . . . 0.0 112.398 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -72.76 -18.3 61.51 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.922 0.889 . . . . 0.0 112.931 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.02 -49.37 67.96 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.713 1.142 . . . . 0.0 110.493 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.442 ' SD ' ' HE2' ' A' ' 57' ' ' LYS . 14.5 ptp -78.14 -33.34 50.44 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -172.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -90.49 -27.51 19.17 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.51 5.61 84.5 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.33 1.443 . . . . 0.0 114.975 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.98 115.69 7.67 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-N 118.776 1.288 . . . . 0.0 111.517 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.44 11.96 84.76 Favored Glycine 0 CA--C 1.54 1.619 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -67.81 -73.23 0.15 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.401 1.6 . . . . 0.0 111.872 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -169.61 139.29 2.01 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.433 1.893 . . . . 0.0 111.348 168.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.3 mt -146.91 40.01 1.05 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.802 2.041 . . . . 0.0 110.428 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.268 3.3 p90 -56.87 -16.12 6.1 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 118.424 2.75 . . . . 0.0 118.424 -174.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -60.77 -23.73 65.22 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.839 2.162 . . . . 0.0 116.839 170.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -94.31 4.79 53.4 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 125.056 1.343 . . . . 0.0 112.373 170.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.72 -175.95 53.05 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.155 1.36 . . . . 0.0 113.923 -173.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.9 ptp 49.58 28.91 2.74 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 127.274 2.23 . . . . 0.0 115.933 174.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.6 t 64.65 -51.47 0.31 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 128.436 2.694 . . . . 0.0 116.048 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.9 t -146.13 128.55 7.88 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 127.964 2.506 . . . . 0.0 109.97 174.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.89 -28.9 7.36 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.459 2.773 . . . . 0.0 113.963 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.68 131.21 46.29 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -174.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -81.07 57.32 3.08 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.717 1.207 . . . . 0.0 112.269 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.27 -139.24 46.74 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.474 1.035 . . . . 0.0 113.102 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.23 4.03 16.15 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 173.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.4 0.3 OUTLIER 61.1 -8.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 118.803 2.89 . . . . 0.0 118.803 -178.737 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.285 0.4 OUTLIER -63.31 154.44 31.69 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 178.07 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.3 0.2 OUTLIER -73.95 15.45 0.3 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 178.721 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.8 p -65.85 -33.11 75.1 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.854 -1.154 . . . . 0.0 113.841 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 59.7 -21.56 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 128.957 2.903 . . . . 0.0 117.618 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.2 pt -68.82 148.26 97.95 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 124.962 1.305 . . . . 0.0 112.605 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.51 -24.36 10.58 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.118 2.545 . . . . 0.0 113.377 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.79 147.17 43.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.486 1.114 . . . . 0.0 113.221 -177.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.2 m -132.49 23.94 4.4 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.021 1.729 . . . . 0.0 112.69 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -77.15 -8.39 57.44 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.126 1.37 . . . . 0.0 114.505 -172.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -135.74 166.23 23.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.143 1.777 . . . . 0.0 111.936 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.42 124.87 21.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.302 1.041 . . . . 0.0 111.955 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.36 131.12 53.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.537 1.535 . . . . 0.0 113.947 176.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.47 144.58 32.04 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.648 1.179 . . . . 0.0 112.717 -168.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -100.25 -25.07 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -177.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 47.54 72.1 1.37 Allowed Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 127.414 2.286 . . . . 0.0 112.618 -174.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.22 165.89 30.99 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.0 2.466 . . . . 0.0 112.919 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -58.4 146.21 72.81 Favored Pre-proline 0 N--CA 1.478 0.945 0 C-N-CA 124.154 0.982 . . . . 0.0 112.16 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -63.43 -26.2 70.69 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.204 2.603 . . . . 0.0 113.649 -175.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.85 -38.57 82.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.06 0.944 . . . . 0.0 112.134 173.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.71 -43.15 56.55 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.184 0.594 . . . . 0.0 111.354 176.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.52 -40.55 68.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.694 0.798 . . . . 0.0 112.273 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.85 -37.06 80.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.966 0.906 . . . . 0.0 113.01 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.6 -41.33 88.63 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.904 0.882 . . . . 0.0 111.677 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.8 -41.42 91.16 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.085 0.857 . . . . 0.0 110.927 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -68.13 -20.54 64.91 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 172.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.6 m -66.87 -17.21 64.78 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.119 0.872 . . . . 0.0 112.609 169.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.64 16.27 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 126.007 1.723 . . . . 0.0 112.535 168.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.38 23.68 50.13 Favored Glycine 0 CA--C 1.533 1.202 0 N-CA-C 117.022 1.569 . . . . 0.0 117.022 168.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.45 121.65 15.77 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 119.393 1.596 . . . . 0.0 112.146 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -81.23 -34.04 32.44 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -168.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -70.33 166.59 19.89 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.919 1.287 . . . . 0.0 112.17 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -101.55 -5.82 24.67 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.062 1.745 . . . . 0.0 115.626 168.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.11 149.66 28.31 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -141.16 152.78 44.95 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.79 158.78 30.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.42 0.688 . . . . 0.0 112.614 166.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 32.4 ttm -61.19 -34.42 75.04 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.456 -1.402 . . . . 0.0 111.536 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.442 ' HE2' ' SD ' ' A' ' 0' ' ' MET . 14.1 tptm -62.12 -43.19 99.37 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.503 1.121 . . . . 0.0 111.055 175.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.26 -43.74 81.1 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.09 0.956 . . . . 0.0 113.193 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.78 -50.26 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.762 0.71 . . . . 0.0 110.444 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.14 -45.7 79.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.362 0.665 . . . . 0.0 111.186 173.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.254 39.9 t80 -52.55 -61.0 2.56 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 174.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -60.18 -40.1 88.81 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.987 1.847 . . . . 0.0 115.987 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.73 -46.67 81.25 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.267 1.027 . . . . 0.0 111.923 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.25 -40.26 96.54 Favored Glycine 0 CA--C 1.526 0.775 0 O-C-N 121.577 -0.702 . . . . 0.0 113.215 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -62.91 -35.82 81.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 117.676 0.738 . . . . 0.0 111.916 172.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -62.41 -51.9 65.71 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 170.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.0 mt -58.76 -42.09 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.59 1.156 . . . . 0.0 111.044 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.2 ttm -66.21 -54.13 28.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.701 1.201 . . . . 0.0 112.276 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -66.97 -33.65 76.04 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.0 -4.94 49.57 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.889 1.275 . . . . 0.0 113.66 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 53.3 44.45 30.11 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 127.46 2.304 . . . . 0.0 113.315 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.5 mt -76.68 -5.79 49.4 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -67.29 148.89 51.11 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -59.65 136.24 57.93 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -65.36 -26.14 67.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -84.89 -63.14 1.38 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.333 1.053 . . . . 0.0 111.726 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -96.77 109.5 22.16 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.086 0.954 . . . . 0.0 111.898 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.43 27.14 0.05 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.034 1.334 . . . . 0.0 114.337 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -141.7 -8.83 0.94 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.924 2.089 . . . . 0.0 112.909 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.8 mt -90.48 136.89 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 120.009 1.277 . . . . 0.0 108.377 171.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -121.28 131.31 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.627 1.571 . . . . 0.0 110.234 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 59.6 m-85 -99.05 137.71 37.19 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 175.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.0 p -153.42 37.95 0.48 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.756 1.223 . . . . 0.0 113.28 -171.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 t -70.75 120.73 16.79 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.505 -1.372 . . . . 0.0 111.979 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 55.41 29.65 13.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.307 1.843 . . . . 0.0 115.905 172.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -120.63 -179.23 3.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.518 1.527 . . . . 0.0 113.677 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.5 tp -55.24 -40.54 71.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.31 1.044 . . . . 0.0 112.884 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.5 -34.09 71.96 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.218 0.607 . . . . 0.0 112.417 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.24 -40.11 96.46 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.339 0.971 . . . . 0.0 113.133 171.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.72 -27.71 68.53 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 173.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.5 mt -76.33 -62.13 1.72 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.169 1.388 . . . . 0.0 112.328 171.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.297 29.6 m-85 -71.76 -20.15 61.92 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 117.671 2.471 . . . . 0.0 117.671 -177.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.88 18.86 80.13 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.378 0.99 . . . . 0.0 114.747 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.2 m -143.53 154.38 59.84 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 125.765 1.626 . . . . 0.0 110.053 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.5 -19.98 18.61 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.823 3.015 . . . . 0.0 113.723 173.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.1 p -163.18 160.71 24.45 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.753 1.621 . . . . 0.0 111.559 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -153.07 175.2 13.25 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.582 1.153 . . . . 0.0 108.349 174.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.8 t -130.14 131.06 45.51 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.294 -0.879 . . . . 0.0 113.012 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -3.21 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 126.182 1.793 . . . . 0.0 114.663 172.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -65.79 -30.05 70.63 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.507 1.123 . . . . 0.0 112.229 169.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -116.28 74.86 0.92 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.602 1.561 . . . . 0.0 112.621 -174.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -50.8 -34.36 27.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.781 1.232 . . . . 0.0 113.383 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.8 -37.63 43.67 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.878 1.671 . . . . 0.0 114.398 174.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -79.06 -40.5 31.1 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.99 0.916 . . . . 0.0 111.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.6 -43.53 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.116 0.566 . . . . 0.0 110.992 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -56.45 -43.66 79.74 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.255 0.9 OUTLIER -65.75 -34.73 78.84 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 174.251 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.5 mtm -74.13 -36.47 64.17 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.361 -0.837 . . . . 0.0 112.555 174.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 92.1 mmm -64.64 -40.59 95.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.635 0.774 . . . . 0.0 111.677 171.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.34 79.56 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.756 -0.59 . . . . 0.0 111.775 171.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.0 m -70.33 -6.13 32.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.8 mtt -93.79 -5.36 48.41 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.672 1.189 . . . . 0.0 114.052 171.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p -129.18 -39.93 1.51 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.574 1.55 . . . . 0.0 115.087 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -92.46 -178.73 41.15 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.01 1.767 . . . . 0.0 112.869 168.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.01 179.75 40.53 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.264 0.935 . . . . 0.0 114.343 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -76.52 159.17 30.6 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -91.12 171.8 9.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.816 1.246 . . . . 0.0 110.93 168.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.1 tpp -66.8 144.83 56.08 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.81 0.844 . . . . 0.0 111.813 171.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 C-N-CA 125.477 1.513 . . . . 0.0 114.141 -179.348 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 96.4 mmm . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.08 145.97 62.84 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.949 2.433 . . . . 0.0 112.033 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -67.43 -19.71 65.41 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.746 1.218 . . . . 0.0 112.937 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -43.18 -49.62 6.46 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 170.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -68.05 -32.14 72.29 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.82 -37.11 86.18 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.315 -0.865 . . . . 0.0 111.717 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -68.64 -45.57 71.47 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -67.27 -36.53 81.78 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.402 1.081 . . . . 0.0 111.965 -177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.59 -32.1 71.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.489 1.116 . . . . 0.0 112.291 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -70.86 -19.41 62.64 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.215 1.006 . . . . 0.0 112.433 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.44 -53.18 52.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.185 0.994 . . . . 0.0 111.401 169.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.1 ptp -76.45 -21.69 55.57 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -70.7 41.11 0.06 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.766 1.626 . . . . 0.0 114.166 170.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.19 9.72 38.58 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 125.558 1.552 . . . . 0.0 114.27 170.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.71 -40.12 1.8 Allowed Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.845 1.688 . . . . 0.0 114.066 -172.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.01 -148.77 18.23 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.459 1.504 . . . . 0.0 112.735 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 60.51 82.5 0.16 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.355 2.262 . . . . 0.0 113.351 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -49.6 122.79 6.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.183 1.793 . . . . 0.0 112.918 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.45 140.95 58.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.478 1.111 . . . . 0.0 112.752 -178.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -64.12 148.62 49.47 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.355 6.4 p90 -69.02 38.99 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 172.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -91.21 -16.99 26.78 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.369 1.468 . . . . 0.0 114.72 -173.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.79 36.52 74.8 Favored Glycine 0 CA--C 1.539 1.565 0 CA-C-N 118.79 0.723 . . . . 0.0 113.265 -170.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 mtt -137.04 165.01 27.03 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.89 1.676 . . . . 0.0 112.478 -171.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m -62.97 161.62 12.7 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.067 1.347 . . . . 0.0 113.085 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 t -59.09 126.17 80.64 Favored Pre-proline 0 N--CA 1.474 0.731 0 C-N-CA 123.654 0.782 . . . . 0.0 112.102 174.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.91 135.88 36.59 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.138 2.559 . . . . 0.0 112.065 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -37.96 73.71 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.93 2.196 . . . . 0.0 116.93 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.55 -21.63 63.61 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.92 -156.0 29.75 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.728 1.632 . . . . 0.0 113.773 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.04 53.95 0.82 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.591 1.556 . . . . 0.0 113.711 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.8 -12.18 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.09 171.94 8.61 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.822 2.049 . . . . 0.0 114.931 176.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.2 p -64.39 -13.3 50.16 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 171.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.6 t 62.92 159.21 0.07 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.199 2.2 . . . . 0.0 115.405 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -75.03 -29.97 60.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.521 1.128 . . . . 0.0 112.242 172.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.71 152.67 41.71 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 125.657 1.583 . . . . 0.0 112.26 -174.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -72.39 159.07 50.22 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.44 2.76 . . . . 0.0 113.211 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.47 -175.0 2.64 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.563 1.545 . . . . 0.0 112.805 171.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -71.31 11.92 0.39 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.603 1.961 . . . . 0.0 116.049 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 65.0 -24.8 0.09 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 128.735 2.814 . . . . 0.0 116.607 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -68.62 124.49 23.74 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.791 -1.193 . . . . 0.0 110.513 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -142.72 146.39 34.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.528 1.131 . . . . 0.0 113.243 -173.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.55 148.76 51.03 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -177.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.94 146.76 33.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.561 0.744 . . . . 0.0 111.094 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -100.18 -22.58 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -173.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 53.37 76.31 0.54 Allowed Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.85 2.06 . . . . 0.0 112.835 -168.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.61 155.54 58.07 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.374 2.716 . . . . 0.0 113.995 -174.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 43.3 mtmt -60.19 149.47 75.3 Favored Pre-proline 0 N--CA 1.479 0.987 0 C-N-CA 123.863 0.865 . . . . 0.0 111.549 169.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -61.11 -32.57 91.56 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.747 2.298 . . . . 0.0 112.814 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.46 -37.67 84.43 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.535 1.134 . . . . 0.0 112.383 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 tp -76.36 -46.35 27.87 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.733 0.813 . . . . 0.0 111.543 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.09 -38.44 68.11 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.627 0.771 . . . . 0.0 112.093 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -56.0 -42.06 75.83 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.316 1.046 . . . . 0.0 113.234 170.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.27 -44.64 87.4 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.002 0.921 . . . . 0.0 111.684 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mt -61.64 -42.68 99.24 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.859 0.754 . . . . 0.0 111.228 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.67 -21.53 61.06 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -66.06 -23.07 66.46 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.668 0.787 . . . . 0.0 112.741 168.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.2 m -104.53 16.28 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.668 1.587 . . . . 0.0 113.678 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.33 23.67 46.87 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 116.519 1.368 . . . . 0.0 116.519 169.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.56 133.75 55.53 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 119.199 1.5 . . . . 0.0 111.97 173.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -87.15 -45.55 10.57 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -169.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -89.22 173.66 8.28 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.799 2.04 . . . . 0.0 112.594 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -102.29 -3.93 26.44 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 p -135.95 145.15 45.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.206 1.402 . . . . 0.0 108.504 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -149.48 162.47 40.06 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.199 1.8 . . . . 0.0 114.767 -170.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -83.52 165.97 18.66 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.76 1.224 . . . . 0.0 113.286 167.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.4 mmt -53.29 -42.37 66.54 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.253 -0.905 . . . . 0.0 112.575 171.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.85 -44.17 86.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.159 0.984 . . . . 0.0 112.098 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -65.69 -41.01 92.91 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.52 -49.11 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.442 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 mt -58.92 -43.7 91.16 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.268 0.94 . . . . 0.0 111.3 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.268 31.0 t80 -51.41 -59.6 4.06 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 172.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -60.55 -41.67 94.99 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.54 -40.52 97.05 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.733 1.213 . . . . 0.0 111.554 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.56 -38.08 95.25 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 119.275 -0.736 . . . . 0.0 113.381 172.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -62.9 -37.61 87.64 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.8 1.3 . . . . 0.0 111.433 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -67.97 -47.53 68.35 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.226 0.61 . . . . 0.0 110.882 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.03 -39.06 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.012 0.925 . . . . 0.0 111.489 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.0 mtm -66.36 -54.77 20.62 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 173.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -64.46 -33.25 75.45 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -80.83 -12.28 59.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.752 1.621 . . . . 0.0 113.89 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 52.55 48.52 22.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.51 2.324 . . . . 0.0 113.56 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.0 mt -80.18 -5.61 56.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -176.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -67.53 146.35 54.02 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 170.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.9 130.98 45.44 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -62.58 -27.42 69.18 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -81.22 -62.39 1.67 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.703 1.201 . . . . 0.0 111.302 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -110.12 93.15 4.35 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.811 1.244 . . . . 0.0 111.225 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -66.07 -14.27 61.44 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.208 -0.932 . . . . 0.0 113.441 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -76.24 3.97 9.69 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.778 1.231 . . . . 0.0 113.777 169.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.4 mt -119.01 133.96 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.777 1.631 . . . . 0.0 109.411 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.8 t -106.93 133.74 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.451 1.5 . . . . 0.0 111.646 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.298 51.9 m-85 -103.5 83.69 2.2 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.418 1.887 . . . . 0.0 115.542 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 m -73.57 -15.52 61.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.157 1.783 . . . . 0.0 113.462 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -52.46 138.11 28.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.435 1.494 . . . . 0.0 114.292 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 58.55 16.23 4.12 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.951 2.1 . . . . 0.0 115.927 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -120.9 167.79 12.17 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.716 1.607 . . . . 0.0 113.761 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.97 -35.83 35.68 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.671 1.188 . . . . 0.0 112.463 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.79 -37.12 85.44 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.606 -0.684 . . . . 0.0 112.755 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.97 -36.46 51.98 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.188 0.899 . . . . 0.0 112.758 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.47 -31.55 71.52 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 170.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.19 -62.57 1.47 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.972 1.309 . . . . 0.0 112.262 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.263 43.7 m-85 -68.34 -24.77 64.85 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 -174.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.94 16.31 79.47 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.063 0.84 . . . . 0.0 114.738 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.28 153.41 68.8 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 125.995 1.718 . . . . 0.0 109.592 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.42 -25.5 21.42 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.381 2.721 . . . . 0.0 113.425 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.3 p -163.97 163.37 23.49 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.086 1.354 . . . . 0.0 112.675 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -154.41 157.69 38.89 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.472 1.109 . . . . 0.0 110.529 170.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.5 t -93.31 132.34 37.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.844 0.858 . . . . 0.0 111.969 169.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.22 -17.37 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.245 1.818 . . . . 0.0 113.742 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -62.67 -33.13 74.42 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 175.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -88.64 100.44 13.1 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 122.328 1.061 . . . . 0.0 113.083 172.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -68.62 -53.28 23.6 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.223 -176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -57.14 -35.04 69.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.053 1.741 . . . . 0.0 113.362 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -64.6 -44.71 89.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.681 1.193 . . . . 0.0 111.221 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.8 mt -66.1 -47.46 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 119.038 -0.506 . . . . 0.0 110.92 173.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -55.33 -46.6 76.33 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -61.48 -40.65 95.33 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 75.2 mtm -67.44 -45.86 74.8 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.697 -0.627 . . . . 0.0 112.132 174.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -78.2 -21.13 50.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.722 0.809 . . . . 0.0 112.217 -173.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.58 -24.99 66.42 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.947 -1.096 . . . . 0.0 112.065 168.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -70.06 -16.34 63.13 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.717 -1.24 . . . . 0.0 112.26 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.473 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 35.9 mtt -83.63 4.0 30.35 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.112 1.365 . . . . 0.0 113.023 171.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p -130.98 -37.18 1.3 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.185 1.794 . . . . 0.0 114.567 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.52 -160.62 33.47 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.904 1.716 . . . . 0.0 114.69 169.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.5 131.17 3.33 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.592 1.568 . . . . 0.0 113.543 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -78.23 -39.87 39.02 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.137 0.975 . . . . 0.0 113.192 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -157.13 137.43 12.85 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.218 1.407 . . . . 0.0 111.436 -175.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 78.8 mtm -87.22 150.89 23.61 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.426 1.091 . . . . 0.0 112.342 171.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 C-N-CA 125.071 1.32 . . . . 0.0 113.056 178.256 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 60.3 ttm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -70.73 150.3 62.1 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.049 2.499 . . . . 0.0 112.113 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -66.04 -19.0 65.71 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.326 1.051 . . . . 0.0 112.827 173.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -44.91 -49.37 11.06 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 171.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -68.86 -30.77 69.36 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -172.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -65.18 -41.29 94.76 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.324 -0.86 . . . . 0.0 111.5 172.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -63.36 -41.78 98.85 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 169.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -70.12 -38.25 75.53 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.636 0.775 . . . . 0.0 111.668 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.69 -30.82 71.85 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.977 -1.077 . . . . 0.0 111.932 173.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -29.03 70.1 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.678 1.191 . . . . 0.0 112.91 177.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.37 -53.4 58.59 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.403 0.681 . . . . 0.0 111.299 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.3 ptp -81.24 -28.36 34.84 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -172.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.02 -39.0 30.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.473 1.109 . . . . 0.0 113.07 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.76 -50.36 6.03 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.868 0.747 . . . . 0.0 112.698 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.56 -179.04 5.09 Favored Glycine 0 CA--C 1.542 1.719 0 C-N-CA 125.25 1.405 . . . . 0.0 115.059 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.24 160.74 34.38 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 121.683 -0.892 . . . . 0.0 113.417 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.66 -14.25 57.45 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -170.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -71.25 -17.5 62.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.336 1.054 . . . . 0.0 113.508 173.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.97 135.63 36.99 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.273 1.029 . . . . 0.0 111.62 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.398 72.9 m-85 63.93 149.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 119.634 3.198 . . . . 0.0 119.634 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -89.83 -20.88 22.93 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 -177.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -156.84 165.59 35.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.765 1.626 . . . . 0.0 111.673 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.56 -132.97 12.1 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.969 0.795 . . . . 0.0 112.963 177.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.4 mmt -60.8 139.49 57.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.785 0.834 . . . . 0.0 112.135 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.0 t -68.14 -25.77 65.45 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.01 135.33 11.93 Favored Pre-proline 0 N--CA 1.474 0.732 0 C-N-CA 126.931 2.092 . . . . 0.0 111.34 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -78.82 48.54 2.82 Favored 'Trans proline' 0 CA--C 1.549 1.247 0 C-N-CA 124.781 3.654 . . . . 0.0 112.94 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -55.25 32.3 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.921 2.193 . . . . 0.0 116.921 -173.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -154.33 161.19 41.91 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -174.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.07 158.46 48.11 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.369 0.985 . . . . 0.0 114.111 175.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.21 154.0 41.27 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.332 1.053 . . . . 0.0 113.292 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -143.34 148.6 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 125.966 1.706 . . . . 0.0 110.892 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 p -87.22 -13.68 43.18 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 175.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 t -152.16 177.91 10.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.689 1.996 . . . . 0.0 112.947 -178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.6 t -69.54 91.76 0.6 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.226 1.011 . . . . 0.0 111.39 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -159.36 170.57 21.52 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.76 2.024 . . . . 0.0 111.148 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 pp -68.46 156.78 89.74 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.57 0.748 . . . . 0.0 111.756 168.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -57.74 125.41 18.61 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.161 2.574 . . . . 0.0 113.255 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.41 -32.58 54.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.589 0.756 . . . . 0.0 112.569 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 t -162.28 170.57 18.72 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.679 1.992 . . . . 0.0 110.119 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -145.35 150.88 37.39 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.657 1.583 . . . . 0.0 111.188 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -68.2 133.97 49.7 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.423 0.63 . . . . 0.0 111.792 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -78.63 46.88 0.68 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.837 1.655 . . . . 0.0 112.509 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.88 120.0 7.71 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.6 mt -90.62 138.43 31.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.651 0.78 . . . . 0.0 113.025 -168.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 m -99.05 -24.21 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 53.67 77.98 0.42 Allowed Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 126.949 2.1 . . . . 0.0 112.287 -168.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.95 152.88 63.55 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 122.743 2.295 . . . . 0.0 111.842 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 0.1 OUTLIER -65.75 155.81 85.09 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 123.369 0.668 . . . . 0.0 111.956 178.229 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -57.5 -33.14 95.95 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.109 2.54 . . . . 0.0 114.444 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.7 tp -63.05 -34.37 77.42 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.301 1.041 . . . . 0.0 112.602 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.6 tp -76.9 -42.91 37.71 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 123.883 0.873 . . . . 0.0 111.252 174.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.3 tp -55.89 -40.15 72.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.207 0.603 . . . . 0.0 112.084 175.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -56.09 -45.44 79.39 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.051 0.94 . . . . 0.0 112.241 170.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.19 -45.47 88.2 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.854 0.861 . . . . 0.0 111.698 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.13 -43.3 99.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.707 0.803 . . . . 0.0 110.745 176.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -75.26 -19.14 59.88 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 p -64.54 -27.26 68.84 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 118.955 0.798 . . . . 0.0 112.195 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -99.51 14.91 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.399 1.48 . . . . 0.0 113.237 169.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.69 29.31 32.68 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 116.042 1.177 . . . . 0.0 116.042 169.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.35 136.49 57.94 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 119.211 1.505 . . . . 0.0 110.987 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -91.53 -17.72 25.23 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -167.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -104.9 169.63 8.33 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.826 2.051 . . . . 0.0 115.094 -171.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -93.43 -19.56 21.16 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.683 1.993 . . . . 0.0 116.172 169.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 p -142.93 152.29 41.87 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.704 2.002 . . . . 0.0 108.049 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -145.36 163.59 34.1 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.922 1.289 . . . . 0.0 114.42 -169.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -83.55 161.5 21.18 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.748 1.219 . . . . 0.0 114.117 166.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.1 mmt -54.79 -43.06 72.53 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.887 -1.133 . . . . 0.0 112.42 173.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -71.37 -33.83 69.89 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.233 1.013 . . . . 0.0 112.832 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.68 -45.05 84.32 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 170.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.88 -45.41 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.099 0.56 . . . . 0.0 109.98 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.65 -47.27 85.02 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.931 0.787 . . . . 0.0 111.539 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -52.46 -57.53 9.59 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 174.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -62.1 -38.17 87.86 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.6 tp -65.61 -41.45 92.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.911 0.885 . . . . 0.0 111.838 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.45 -42.2 99.72 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 121.432 -0.792 . . . . 0.0 112.672 173.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -61.09 -37.26 82.08 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 117.794 0.797 . . . . 0.0 112.664 171.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.06 -50.03 70.01 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.03 -37.45 77.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.296 1.038 . . . . 0.0 111.486 177.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.8 mtm -64.73 -52.18 58.41 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 173.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -66.5 -35.26 79.82 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -77.96 -19.38 54.65 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.816 1.646 . . . . 0.0 114.014 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 56.0 46.29 22.12 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.234 2.214 . . . . 0.0 113.404 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.7 mt -76.62 -12.03 59.95 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -67.11 151.83 46.87 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -65.3 130.54 43.71 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.387 -0.82 . . . . 0.0 111.543 167.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -56.45 -29.67 61.95 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -86.99 -64.44 1.15 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.21 1.004 . . . . 0.0 110.922 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -86.96 74.63 9.69 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.025 1.33 . . . . 0.0 110.351 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -67.57 -14.5 62.99 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.304 -0.873 . . . . 0.0 112.832 -174.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -80.15 4.04 18.63 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.131 1.372 . . . . 0.0 113.916 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.5 mt -124.99 129.93 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.527 1.531 . . . . 0.0 110.285 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.0 t -101.31 136.46 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.952 1.701 . . . . 0.0 110.626 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 73.9 m-85 -110.93 62.21 0.61 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.054 2.141 . . . . 0.0 115.042 -178.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.48 2.53 3.02 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -171.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.7 t -48.79 133.07 17.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.319 1.448 . . . . 0.0 113.869 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 59.93 1.09 0.3 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.634 2.374 . . . . 0.0 116.798 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -85.56 167.92 14.96 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 120.962 -1.087 . . . . 0.0 111.9 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.2 tp -53.37 -36.93 61.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.049 0.94 . . . . 0.0 111.418 168.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.88 -35.06 76.43 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.92 -36.54 92.98 Favored Glycine 0 CA--C 1.532 1.134 0 O-C-N 121.571 -0.706 . . . . 0.0 112.691 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.84 -26.92 65.4 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 171.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.5 mt -78.7 -53.68 6.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.075 1.35 . . . . 0.0 112.454 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.27 32.9 m-85 -70.32 -24.19 62.97 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 117.229 2.307 . . . . 0.0 117.229 175.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.59 19.42 79.88 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.468 1.032 . . . . 0.0 114.625 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.89 154.52 62.25 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 125.671 1.588 . . . . 0.0 110.209 -175.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -71.62 -24.0 22.44 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.379 2.72 . . . . 0.0 113.373 173.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.8 p -161.73 159.8 27.68 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.022 1.329 . . . . 0.0 112.171 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.52 153.67 31.85 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.961 0.904 . . . . 0.0 109.547 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.8 t -90.04 128.64 36.33 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.952 0.901 . . . . 0.0 112.284 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.94 -29.56 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.473 1.509 . . . . 0.0 113.122 172.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -66.38 -29.49 69.67 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.569 1.548 . . . . 0.0 112.532 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -80.82 60.65 4.16 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.453 1.501 . . . . 0.0 111.988 173.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -53.54 -41.58 66.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -169.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -62.14 -37.49 85.37 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.22 1.008 . . . . 0.0 113.054 -176.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -64.81 -42.91 94.62 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.955 0.902 . . . . 0.0 110.813 174.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.23 -47.85 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.007 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -57.06 -42.74 81.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.072 1.305 . . . . 0.0 113.275 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.289 0.8 OUTLIER -69.19 -36.19 77.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 175.295 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.2 mtm -69.72 -35.51 75.08 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.105 -0.997 . . . . 0.0 112.614 171.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 90.4 mmm -66.2 -40.36 90.32 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.467 1.107 . . . . 0.0 111.474 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.87 72.01 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.631 -0.668 . . . . 0.0 112.478 171.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.1 m -70.53 -14.95 62.72 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 172.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.474 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 45.3 mtt -81.83 -12.32 58.56 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.729 -1.232 . . . . 0.0 113.116 169.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.29 1.3 p -125.6 14.32 8.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.713 2.005 . . . . 0.0 115.619 -174.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -176.71 -166.63 34.1 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 125.063 1.316 . . . . 0.0 113.045 -177.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.41 -154.47 49.1 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.106 0.86 . . . . 0.0 113.813 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -145.48 148.57 33.4 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.453 1.501 . . . . 0.0 111.176 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -148.23 159.3 44.11 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.284 1.434 . . . . 0.0 111.873 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -153.76 159.23 41.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.351 1.46 . . . . 0.0 111.76 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 C-N-CA 125.293 1.425 . . . . 0.0 113.556 177.462 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 62.7 ttp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -68.78 153.53 72.86 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 122.931 2.421 . . . . 0.0 112.468 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -63.31 -24.24 67.77 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.93 1.292 . . . . 0.0 112.041 171.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -46.12 -48.83 17.2 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 172.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -66.45 -31.0 71.48 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -65.0 -41.47 95.36 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.319 -0.863 . . . . 0.0 111.668 173.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -64.69 -40.2 94.97 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 169.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -73.87 -33.98 64.27 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.139 0.976 . . . . 0.0 111.848 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 15.5 tp -63.21 -31.17 72.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.755 -1.215 . . . . 0.0 111.971 171.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -25.67 67.43 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.924 1.29 . . . . 0.0 112.31 178.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.22 -56.5 18.03 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.36 0.664 . . . . 0.0 111.281 170.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.6 ptp -72.49 -29.65 63.83 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -70.7 -36.25 73.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.547 1.139 . . . . 0.0 112.976 173.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.35 -40.99 17.85 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.186 0.898 . . . . 0.0 113.718 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.57 1.21 15.0 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 117.696 1.839 . . . . 0.0 117.696 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.4 -139.78 6.89 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 120.053 1.926 . . . . 0.0 114.102 -177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -64.75 -6.85 8.89 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 -173.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -52.79 -33.58 49.44 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.577 1.551 . . . . 0.0 113.761 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.79 -20.56 65.86 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.98 1.312 . . . . 0.0 113.374 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -107.3 -39.31 5.72 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 171.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.285 13.6 t80 -53.71 -21.69 7.61 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 117.098 2.259 . . . . 0.0 117.098 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -54.06 -23.47 13.81 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.312 1.845 . . . . 0.0 113.959 168.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.68 -11.14 64.73 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.695 1.617 . . . . 0.0 114.149 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -152.78 160.04 43.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.591 2.356 . . . . 0.0 108.76 169.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.6 p -60.02 121.01 10.78 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t 64.59 117.85 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 127.575 2.35 . . . . 0.0 115.808 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -75.58 170.98 19.1 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 124.608 3.539 . . . . 0.0 112.621 174.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 t -54.74 160.43 1.88 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 169.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -58.93 151.86 20.86 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 -172.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -155.16 -174.2 24.79 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.083 1.325 . . . . 0.0 113.513 -178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.08 -41.42 0.15 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 128.645 2.778 . . . . 0.0 115.339 -169.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 m -64.91 127.88 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.231 1.013 . . . . 0.0 111.162 170.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.469 0.6 OUTLIER 58.45 5.61 0.46 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 118.855 2.909 . . . . 0.0 118.855 -176.024 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.354 0.2 OUTLIER -71.93 32.6 0.06 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -177.782 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -70.22 1.34 4.91 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.405 1.882 . . . . 0.0 115.308 -174.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -64.17 -25.75 68.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.535 1.534 . . . . 0.0 113.724 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.2 pt -116.38 158.07 43.98 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.684 1.593 . . . . 0.0 112.089 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -58.69 147.04 89.72 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.456 2.771 . . . . 0.0 113.781 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.61 -23.35 56.4 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.0 p -68.52 120.1 14.03 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.118 0.967 . . . . 0.0 112.881 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -83.85 -24.76 30.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.541 1.136 . . . . 0.0 113.349 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 56.93 27.82 13.69 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.177 1.791 . . . . 0.0 114.542 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -66.87 145.35 55.56 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.958 -1.089 . . . . 0.0 113.038 176.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.9 p -77.02 157.49 31.14 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.91 1.284 . . . . 0.0 109.381 174.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.3 mt -78.28 150.96 33.26 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.767 0.827 . . . . 0.0 112.665 173.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -126.08 161.02 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.963 2.505 . . . . 0.0 111.108 168.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.19 90.92 10.48 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 123.41 0.684 . . . . 0.0 109.702 173.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.83 152.91 80.23 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.506 2.138 . . . . 0.0 112.488 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 18.4 ptpt -62.61 157.47 57.36 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 124.146 0.978 . . . . 0.0 112.654 -176.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -55.68 -35.58 93.37 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.26 2.64 . . . . 0.0 114.701 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.15 -33.47 75.86 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.088 0.955 . . . . 0.0 112.758 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.8 tp -79.79 -42.9 23.48 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 124.224 1.009 . . . . 0.0 111.281 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -55.66 -40.73 72.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.499 0.72 . . . . 0.0 111.767 174.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -54.95 -45.72 74.91 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.446 1.098 . . . . 0.0 112.523 170.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.37 -46.06 85.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.053 0.941 . . . . 0.0 111.372 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.17 -40.46 93.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.803 0.841 . . . . 0.0 110.934 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -71.74 -25.05 61.9 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.0 p -64.81 -26.73 68.47 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.267 0.94 . . . . 0.0 112.232 172.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -98.84 12.17 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.944 1.697 . . . . 0.0 113.367 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.3 28.16 28.51 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.208 1.385 . . . . 0.0 116.433 168.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.66 137.21 45.89 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.415 1.607 . . . . 0.0 111.28 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -89.49 -31.69 17.55 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -168.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -93.14 177.21 6.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.774 1.63 . . . . 0.0 113.649 -169.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -112.61 -0.07 15.26 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.241 1.816 . . . . 0.0 114.786 167.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 p -137.99 143.87 40.85 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.908 2.083 . . . . 0.0 106.962 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -148.26 155.74 41.7 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -170.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 p -77.34 158.11 30.31 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 118.788 0.722 . . . . 0.0 112.686 165.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.6 mmt -58.16 -38.61 76.96 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.85 -1.156 . . . . 0.0 112.863 173.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -66.76 -37.47 84.67 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.123 0.874 . . . . 0.0 112.805 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.77 -47.04 85.22 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.654 1.116 . . . . 0.0 112.648 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.14 -48.02 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 122.996 0.518 . . . . 0.0 110.498 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 mt -57.95 -49.14 77.81 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.752 0.705 . . . . 0.0 111.745 175.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -51.34 -56.01 15.41 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 115.486 1.661 . . . . 0.0 115.486 175.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -62.45 -41.92 99.09 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.94 -39.47 94.71 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.921 0.888 . . . . 0.0 111.591 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.49 -51.33 57.09 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 170.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -59.0 -33.94 71.28 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.969 0.885 . . . . 0.0 112.445 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.03 -49.02 64.03 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.919 0.781 . . . . 0.0 112.114 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.33 -38.61 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.439 1.095 . . . . 0.0 111.123 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 41.9 mtp -67.45 -51.85 46.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.321 1.448 . . . . 0.0 113.34 175.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -65.23 -32.84 74.71 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -82.6 -16.36 48.72 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.661 1.585 . . . . 0.0 114.663 172.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 52.92 48.4 22.52 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 127.197 2.199 . . . . 0.0 113.312 -174.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.4 mt -74.21 -11.82 60.39 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -62.75 148.11 47.74 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.77 129.7 41.19 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.332 -0.855 . . . . 0.0 112.744 168.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.12 -28.28 67.73 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -80.96 -68.85 0.65 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.884 0.874 . . . . 0.0 110.109 173.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -100.48 91.01 4.49 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.104 0.962 . . . . 0.0 110.239 -178.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.37 -8.96 44.73 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.203 -0.935 . . . . 0.0 112.844 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -81.22 10.2 5.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.897 1.679 . . . . 0.0 113.086 167.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.2 mt -126.54 137.88 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.739 2.015 . . . . 0.0 108.932 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.46 126.26 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 125.62 1.568 . . . . 0.0 110.636 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.29 55.8 m-85 -95.19 65.0 2.79 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.061 2.144 . . . . 0.0 115.199 177.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.73 -6.15 24.71 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.868 2.174 . . . . 0.0 116.868 -169.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.3 t -45.84 129.98 9.41 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.736 1.615 . . . . 0.0 114.037 -177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 59.53 -22.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.692 2.797 . . . . 0.0 117.691 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.251 16.2 m-20 -78.08 55.55 1.49 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.295 1.838 . . . . 0.0 115.536 172.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.3 tp 60.18 -50.88 0.09 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 129.514 3.126 . . . . 0.0 115.515 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.73 -29.75 70.74 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.169 1.788 . . . . 0.0 114.188 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.46 -32.91 82.82 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.414 -0.804 . . . . 0.0 113.41 172.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -74.08 -25.91 60.08 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.9 mt -73.47 -54.8 7.39 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.151 0.98 . . . . 0.0 111.603 170.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.266 39.0 m-85 -70.08 -21.36 63.15 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 116.946 2.202 . . . . 0.0 116.946 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.37 22.06 76.47 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.472 1.034 . . . . 0.0 114.262 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.8 m -146.36 155.62 49.89 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.183 1.793 . . . . 0.0 109.523 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.29 -23.93 20.28 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.178 2.586 . . . . 0.0 113.379 172.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.3 p -159.82 159.04 32.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.3 1.44 . . . . 0.0 112.099 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -150.9 162.82 40.06 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.957 0.903 . . . . 0.0 109.536 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -107.78 114.98 29.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.274 1.429 . . . . 0.0 113.46 -174.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.96 -22.52 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.277 1.431 . . . . 0.0 114.067 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -56.86 -28.53 61.86 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.067 1.747 . . . . 0.0 113.348 169.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -110.93 73.08 0.8 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.105 1.362 . . . . 0.0 111.944 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -50.3 -40.56 48.96 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.744 1.218 . . . . 0.0 113.241 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -35.46 47.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.256 1.823 . . . . 0.0 114.175 175.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -81.62 -35.53 29.97 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.23 1.412 . . . . 0.0 111.596 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.05 -45.16 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.236 0.615 . . . . 0.0 110.89 173.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -54.53 -45.87 73.48 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 t -64.89 -36.8 85.53 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.8 mtm -72.2 -39.09 68.86 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.605 -0.684 . . . . 0.0 112.359 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.9 mmm -63.46 -40.44 97.13 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.966 0.907 . . . . 0.0 111.754 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.47 -29.09 70.43 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.601 0.76 . . . . 0.0 112.777 174.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.7 m -74.97 -16.56 60.63 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 176.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.405 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 58.9 mtt -79.35 -1.79 38.56 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.269 2.0 p -116.7 10.0 14.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.297 1.839 . . . . 0.0 115.634 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -155.45 -162.07 11.05 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.314 1.435 . . . . 0.0 113.507 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.94 -165.71 54.79 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.343 0.973 . . . . 0.0 113.825 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -150.2 150.01 31.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.831 1.252 . . . . 0.0 112.247 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -75.55 153.74 37.23 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.185 1.394 . . . . 0.0 112.381 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 24.6 ptp -76.33 -10.69 59.59 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.196 0 C-N-CA 125.793 1.664 . . . . 0.0 113.438 -177.171 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 118.604 -0.712 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.14 168.21 19.77 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.493 2.795 . . . . 0.0 113.205 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -134.13 152.67 51.94 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.382 1.473 . . . . 0.0 112.621 175.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -50.01 -48.3 52.64 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -66.02 -27.3 68.01 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -62.02 -39.5 92.5 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.307 -0.871 . . . . 0.0 111.447 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -71.45 -42.72 67.84 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -67.77 -34.84 77.59 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.53 0.732 . . . . 0.0 111.834 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.58 -32.48 70.41 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.396 1.079 . . . . 0.0 112.434 174.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -73.12 -19.08 61.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.908 0.883 . . . . 0.0 112.899 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 73.5 mt -64.54 -55.63 19.28 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.512 0.596 . . . . 0.0 110.842 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.21 -23.55 64.84 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -172.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.33 -28.9 69.03 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.37 -15.36 15.87 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.95 1.262 . . . . 0.0 115.388 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.45 179.6 45.9 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.44 1.495 . . . . 0.0 115.258 -174.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.91 -0.17 87.4 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.733 1.158 . . . . 0.0 115.052 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -153.61 155.91 36.98 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.073 1.749 . . . . 0.0 110.674 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -63.86 160.92 16.46 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.648 1.179 . . . . 0.0 112.915 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.14 140.55 55.75 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.105 0.962 . . . . 0.0 111.898 176.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -65.41 -35.7 81.71 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 -169.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -151.26 146.84 26.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.962 1.705 . . . . 0.0 115.095 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -59.91 -28.04 67.25 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.24 -11.25 85.52 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.027 0.822 . . . . 0.0 115.107 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 95.1 mtp -82.29 70.55 9.25 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.888 1.344 . . . . 0.0 111.893 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.2 m -61.81 100.55 0.16 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.876 0.87 . . . . 0.0 109.326 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.5 t 66.83 127.28 0.03 OUTLIER Pre-proline 0 N--CA 1.48 1.045 0 C-N-CA 125.989 1.716 . . . . 0.0 110.843 -166.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -61.04 119.62 6.87 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.02 2.48 . . . . 0.0 113.154 -170.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 142.89 57.69 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 176.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -59.7 -21.5 60.68 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 174.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.8 -3.4 21.52 Favored Glycine 0 CA--C 1.539 1.552 0 C-N-CA 125.231 1.396 . . . . 0.0 115.236 171.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -22.47 64.29 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.206 1.503 . . . . 0.0 113.328 172.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -75.26 -22.48 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 172.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.315 0.2 OUTLIER -71.85 -3.41 22.14 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 117.418 2.377 . . . . 0.0 117.418 -174.071 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 p -62.64 -19.37 63.73 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 170.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.4 m 58.67 22.35 9.81 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.97 1.708 . . . . 0.0 115.141 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -65.53 150.55 48.2 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.133 0.973 . . . . 0.0 112.307 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.09 141.23 96.3 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 123.916 0.886 . . . . 0.0 110.377 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -64.72 -32.67 56.63 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.966 2.444 . . . . 0.0 114.73 -174.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.77 -90.08 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.298 2.239 . . . . 0.0 114.509 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -150.84 149.03 29.19 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.383 1.873 . . . . 0.0 110.666 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -66.04 -28.08 68.58 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.61 0.764 . . . . 0.0 112.685 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 45.54 55.69 6.43 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.793 2.037 . . . . 0.0 113.912 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -63.61 130.76 45.62 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.595 -1.315 . . . . 0.0 110.985 170.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -130.19 142.89 50.54 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -173.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.5 mt -70.77 149.21 47.11 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -169.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.96 169.27 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 130.013 3.325 . . . . 0.0 109.99 168.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -112.3 91.4 16.27 Favored Pre-proline 0 N--CA 1.472 0.637 0 O-C-N 121.893 -0.504 . . . . 0.0 111.403 172.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -62.96 148.85 93.02 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.646 2.231 . . . . 0.0 112.67 175.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.46 156.71 50.91 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 124.912 1.285 . . . . 0.0 113.007 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -56.09 -35.17 94.54 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.272 2.648 . . . . 0.0 114.636 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.51 -35.66 81.21 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.209 1.004 . . . . 0.0 112.524 175.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.0 tp -79.1 -40.72 30.38 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.753 1.221 . . . . 0.0 111.49 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.1 tp -55.63 -41.08 73.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.795 0.838 . . . . 0.0 111.847 172.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.86 -41.41 82.37 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.8 0.84 . . . . 0.0 112.658 172.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 tt -65.92 -47.7 73.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.028 0.931 . . . . 0.0 111.335 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.68 -41.91 96.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.108 0.963 . . . . 0.0 111.163 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -74.39 -24.16 59.08 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.6 p -64.56 -26.65 68.51 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.189 0.904 . . . . 0.0 112.374 170.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.9 m -98.01 13.38 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.833 1.653 . . . . 0.0 114.263 169.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 22.35 30.02 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 117.0 1.56 . . . . 0.0 117.0 168.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.61 166.04 13.58 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 119.626 1.713 . . . . 0.0 112.572 172.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -136.76 -27.62 1.01 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -169.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -83.95 176.9 8.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.478 1.511 . . . . 0.0 113.523 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -101.91 -38.15 7.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.154 1.382 . . . . 0.0 114.084 167.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -99.99 148.71 24.21 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.212 1.805 . . . . 0.0 107.977 172.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -145.26 151.41 38.32 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.612 1.565 . . . . 0.0 113.078 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -73.41 153.29 40.48 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.351 0.978 . . . . 0.0 112.782 167.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 mtp -60.5 -30.91 70.01 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.644 -1.285 . . . . 0.0 112.24 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -68.39 -41.5 80.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.089 1.356 . . . . 0.0 112.413 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.42 -42.89 98.74 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.158 0.89 . . . . 0.0 112.64 172.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.39 -49.73 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.607 0.763 . . . . 0.0 109.467 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.65 -47.68 83.62 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.098 0.863 . . . . 0.0 111.356 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -51.77 -50.98 59.62 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 176.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -72.57 -35.26 67.92 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.27 -40.64 96.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.037 0.935 . . . . 0.0 111.595 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.47 -39.52 97.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 121.77 -0.581 . . . . 0.0 112.97 171.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -63.23 -34.74 78.32 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.3 1.05 . . . . 0.0 113.216 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -66.42 -47.43 73.26 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.633 0.652 . . . . 0.0 111.799 173.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.51 -38.47 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.328 1.051 . . . . 0.0 111.604 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.1 mtm -65.61 -54.36 28.92 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 173.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 t -63.55 -33.47 75.66 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -79.77 -13.82 59.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.636 1.575 . . . . 0.0 114.126 171.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 53.5 46.28 26.48 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.857 2.463 . . . . 0.0 113.224 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.8 mt -78.9 -10.13 59.71 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -173.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -65.48 147.88 52.67 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -67.61 129.86 41.23 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.311 -0.868 . . . . 0.0 113.225 170.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.01 -26.71 68.39 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.222 -0.924 . . . . 0.0 113.298 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -83.47 -67.37 0.8 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.439 1.096 . . . . 0.0 110.955 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -91.92 88.8 6.75 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.333 1.053 . . . . 0.0 110.835 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.61 -17.51 62.95 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -86.63 6.36 31.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.946 1.698 . . . . 0.0 114.207 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -121.97 138.8 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.405 1.482 . . . . 0.0 110.404 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.6 t -114.3 135.7 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.034 1.734 . . . . 0.0 110.7 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -107.58 130.07 54.92 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.283 1.833 . . . . 0.0 114.463 173.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.8 p -146.64 16.49 1.27 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -168.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.9 t -54.71 125.93 21.95 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.15 -0.969 . . . . 0.0 112.295 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 58.32 9.76 1.12 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 127.13 2.172 . . . . 0.0 116.381 -175.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -87.28 166.04 15.2 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.512 1.125 . . . . 0.0 112.501 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.82 -38.69 61.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.1 0.96 . . . . 0.0 112.054 169.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.2 tp -67.49 -35.47 79.21 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.93 -35.0 65.22 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.678 0.656 . . . . 0.0 112.616 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.2 -29.76 70.6 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 170.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.3 mt -74.91 -64.09 1.12 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.904 1.282 . . . . 0.0 112.01 169.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.279 37.5 m-85 -67.29 -21.07 65.7 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 -177.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.85 18.6 78.68 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.66 1.124 . . . . 0.0 114.831 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.3 m -143.16 153.61 60.16 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 125.396 1.478 . . . . 0.0 110.553 -174.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.78 -20.21 20.2 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.753 2.969 . . . . 0.0 113.866 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -164.04 160.62 21.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.792 1.637 . . . . 0.0 111.186 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -154.83 157.05 37.3 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.536 0.684 . . . . 0.0 110.464 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.3 t -92.06 127.72 37.64 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.47 1.108 . . . . 0.0 112.165 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.2 t -66.51 -31.04 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.496 1.518 . . . . 0.0 113.208 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -64.51 -30.62 71.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.358 1.463 . . . . 0.0 112.498 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -79.6 58.05 2.62 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.467 1.507 . . . . 0.0 112.514 177.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -51.89 -40.63 60.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.902 1.281 . . . . 0.0 114.39 -169.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -57.77 -42.18 83.53 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.724 1.21 . . . . 0.0 112.788 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -67.66 -41.23 84.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.959 0.903 . . . . 0.0 111.868 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.0 mt -61.46 -47.79 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.0 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.59 -44.68 85.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.782 1.174 . . . . 0.0 113.837 -176.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.254 1.5 t -66.35 -40.75 90.01 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 74.1 mtm -65.41 -42.6 92.39 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.574 -0.704 . . . . 0.0 112.111 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -76.73 -32.63 57.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 0.0 111.607 -175.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.33 80.18 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.446 -0.784 . . . . 0.0 111.813 172.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 m -64.16 -16.45 61.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.255 1.022 . . . . 0.0 113.739 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.0 mtt -78.22 -3.01 40.54 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.422 1.089 . . . . 0.0 113.459 171.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.269 1.6 p -126.1 9.07 7.37 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -170.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -154.06 -166.11 14.53 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.622 1.582 . . . . 0.0 112.95 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.1 151.5 52.45 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.915 0.769 . . . . 0.0 114.109 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -153.63 165.74 34.99 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.61 1.564 . . . . 0.0 111.8 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -64.52 145.94 55.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.006 0.922 . . . . 0.0 110.939 169.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 37.0 ttm -149.42 32.95 0.72 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.207 1.003 . . . . 0.0 112.206 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.394 1.474 . . . . 0.0 112.784 -179.074 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.14 142.45 98.34 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.53 2.82 . . . . 0.0 113.948 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -113.34 -20.29 11.41 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.356 1.863 . . . . 0.0 114.326 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -54.13 -50.26 67.33 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -68.44 -30.53 69.43 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -170.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -63.42 -40.58 97.57 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.272 -0.893 . . . . 0.0 111.603 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -64.6 -42.26 95.68 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 168.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -70.86 -36.33 72.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.197 0.599 . . . . 0.0 112.194 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 14.9 tp -64.4 -32.49 74.13 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.931 -1.106 . . . . 0.0 112.477 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -64.1 -30.72 71.77 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.129 1.372 . . . . 0.0 111.696 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.26 -54.21 32.65 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.981 0.913 . . . . 0.0 111.817 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.467 ' SD ' ' HE2' ' A' ' 57' ' ' LYS . 13.0 ptp -67.99 -29.48 68.52 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -173.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -77.94 -13.44 59.88 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 173.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.91 -130.18 4.11 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.917 1.722 . . . . 0.0 113.818 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.38 7.65 88.33 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.951 1.262 . . . . 0.0 116.051 175.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.76 159.8 53.88 Favored Glycine 0 CA--C 1.537 1.429 0 CA-C-N 118.61 1.205 . . . . 0.0 114.203 178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -68.66 -13.69 62.53 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -169.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -57.09 -30.38 64.27 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.922 1.237 . . . . 0.0 114.234 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.88 -22.86 65.08 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 175.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -106.75 -24.4 12.11 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -135.19 127.53 30.3 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.223 1.809 . . . . 0.0 115.162 -176.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 60.36 -21.82 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 118.096 2.628 . . . . 0.0 118.096 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.07 -113.52 5.24 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 120.353 1.433 . . . . 0.0 112.902 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.7 ttp 64.76 -49.89 0.33 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 129.012 2.925 . . . . 0.0 115.913 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.9 m -148.86 160.55 43.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.203 1.401 . . . . 0.0 112.549 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.13 133.66 95.52 Favored Pre-proline 0 N--CA 1.475 0.781 0 C-N-CA 124.583 1.153 . . . . 0.0 111.396 170.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.35 -29.71 54.14 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.515 2.144 . . . . 0.0 113.283 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.3 0.2 OUTLIER -72.18 56.0 0.33 Allowed 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 179.031 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -141.92 153.77 44.62 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.703 1.601 . . . . 0.0 112.457 -173.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.78 6.56 78.3 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 125.058 1.313 . . . . 0.0 115.503 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.98 154.0 42.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.696 1.199 . . . . 0.0 113.202 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.74 141.5 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.555 1.142 . . . . 0.0 112.812 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.297 1.0 OUTLIER -63.61 156.67 25.98 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 172.283 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER -59.62 139.48 57.16 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -171.12 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.2 m 58.93 7.9 0.88 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -76.85 -56.26 4.75 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.477 1.035 . . . . 0.0 110.959 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 mp -77.97 158.85 77.11 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.156 1.782 . . . . 0.0 111.834 169.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.51 145.54 88.15 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.844 3.029 . . . . 0.0 113.67 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.61 -19.08 61.53 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 p -71.95 143.54 49.24 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.794 1.237 . . . . 0.0 113.526 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -157.74 159.61 37.02 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.999 1.719 . . . . 0.0 111.074 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.05 144.05 25.53 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.517 1.127 . . . . 0.0 111.369 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -146.0 168.55 20.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.935 1.694 . . . . 0.0 112.123 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.45 135.11 57.18 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.8 mt -74.95 138.56 42.4 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.922 0.889 . . . . 0.0 111.269 174.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.9 m -103.6 -24.79 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -172.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 47.03 81.16 0.26 Allowed Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 127.597 2.359 . . . . 0.0 111.535 -169.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -67.62 159.71 51.36 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.158 1.905 . . . . 0.0 112.807 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -56.79 146.1 59.39 Favored Pre-proline 0 N--CA 1.473 0.713 0 C-N-CA 125.973 1.709 . . . . 0.0 111.928 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.1 -31.21 83.3 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.144 2.563 . . . . 0.0 113.429 -171.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.69 -35.98 81.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.135 0.974 . . . . 0.0 111.901 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 tp -72.14 -45.9 58.67 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.381 0.672 . . . . 0.0 111.815 169.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 tp -53.77 -39.96 65.82 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.016 0.526 . . . . 0.0 111.614 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -62.0 -34.29 75.92 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 174.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.19 -39.23 92.01 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.64 -0.663 . . . . 0.0 110.905 170.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.95 -41.68 90.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.124 0.57 . . . . 0.0 111.153 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -59.71 -32.25 70.35 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.439 -1.413 . . . . 0.0 112.982 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -65.16 -14.72 61.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.592 1.157 . . . . 0.0 113.573 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.32 22.39 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.316 1.847 . . . . 0.0 112.547 170.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.35 23.01 59.5 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 116.583 1.393 . . . . 0.0 116.583 169.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 120.1 9.97 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 118.97 1.385 . . . . 0.0 112.426 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -77.3 -51.95 10.02 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -169.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -71.73 173.42 8.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.432 1.893 . . . . 0.0 112.728 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -112.54 2.52 16.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.479 1.912 . . . . 0.0 115.308 168.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -136.57 137.4 40.16 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.448 1.899 . . . . 0.0 106.862 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -143.3 156.96 44.85 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.38 1.472 . . . . 0.0 114.564 -173.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -79.88 162.45 25.01 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 166.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.1 mmt -55.75 -37.14 68.11 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.738 -1.226 . . . . 0.0 112.926 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.467 ' HE2' ' SD ' ' A' ' 0' ' ' MET . 13.1 tptm -63.26 -44.79 94.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.565 1.146 . . . . 0.0 110.888 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -68.38 -42.96 78.33 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.514 1.126 . . . . 0.0 113.295 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.88 -49.29 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.557 0.617 . . . . 0.0 110.486 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.47 -41.53 85.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.809 0.731 . . . . 0.0 111.816 173.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.253 26.5 t80 -52.93 -58.69 6.11 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 171.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -60.18 -38.85 84.47 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.19 -44.34 88.73 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.205 1.002 . . . . 0.0 111.694 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.75 -41.71 98.83 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.557 -0.714 . . . . 0.0 112.741 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -60.86 -36.74 79.96 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.985 0.893 . . . . 0.0 112.759 171.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -64.88 -49.47 70.36 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.13 -40.05 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.356 1.062 . . . . 0.0 111.387 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.2 mtm -63.55 -55.63 22.37 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -64.39 -31.2 72.3 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -81.15 -14.88 57.21 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.586 1.554 . . . . 0.0 114.224 173.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? 52.37 46.72 26.14 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.788 2.035 . . . . 0.0 113.577 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -76.5 -12.49 60.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -67.25 151.2 47.93 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 117.24 2.311 . . . . 0.0 117.24 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -64.13 128.21 34.83 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.464 -0.773 . . . . 0.0 112.549 168.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -58.22 -30.26 66.35 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.293 -0.879 . . . . 0.0 113.247 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -80.15 -68.64 0.66 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.243 1.017 . . . . 0.0 110.983 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -96.42 85.29 3.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.051 0.94 . . . . 0.0 110.606 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.03 -14.35 62.81 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -74.07 0.04 15.01 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.382 1.073 . . . . 0.0 113.229 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.5 mt -114.61 125.11 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.382 1.473 . . . . 0.0 109.7 173.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.4 t -97.7 129.98 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.362 1.465 . . . . 0.0 111.665 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.298 55.3 m-85 -100.06 79.43 2.18 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.397 1.879 . . . . 0.0 115.397 177.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.441 ' HG ' ' CD2' ' A' ' 88' ' ' LEU . 4.6 m -69.93 -13.85 62.44 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.355 1.862 . . . . 0.0 113.827 -172.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.4 t -51.89 137.74 25.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.269 1.427 . . . . 0.0 113.631 -173.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 58.88 18.15 5.9 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.541 1.936 . . . . 0.0 115.779 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -120.33 167.05 12.71 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.199 1.4 . . . . 0.0 112.317 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.3 tp -51.04 -34.03 27.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.029 1.332 . . . . 0.0 112.09 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.441 ' CD2' ' HG ' ' A' ' 83' ' ' CYS . 27.1 tp -63.96 -36.54 84.28 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 174.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.42 -36.14 69.24 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.918 0.771 . . . . 0.0 112.361 174.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.78 -29.61 70.8 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 170.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.0 mt -75.22 -65.17 0.92 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.035 1.334 . . . . 0.0 112.172 170.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.286 30.0 m-85 -70.99 -19.34 62.54 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 -173.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.99 18.27 77.62 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.083 0.849 . . . . 0.0 114.553 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.0 m -139.11 153.81 71.76 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 125.912 1.685 . . . . 0.0 110.004 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.21 -25.53 26.39 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.235 2.623 . . . . 0.0 113.022 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.2 p -163.42 162.84 25.04 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.143 1.377 . . . . 0.0 112.801 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -152.3 158.67 43.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.477 1.111 . . . . 0.0 109.034 169.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 t -99.08 127.86 45.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.893 0.877 . . . . 0.0 112.105 174.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.02 -16.83 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 127.003 2.121 . . . . 0.0 113.514 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -56.47 -36.0 68.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.08 1.352 . . . . 0.0 112.64 170.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -89.77 101.63 14.32 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 122.583 1.183 . . . . 0.0 113.885 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -63.79 -62.5 1.61 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.324 1.45 . . . . 0.0 112.865 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -58.58 -41.68 86.29 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.523 1.129 . . . . 0.0 112.356 -174.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.77 -43.77 97.6 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.59 1.156 . . . . 0.0 111.939 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.8 mt -69.88 -46.99 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.529 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -56.09 -46.07 79.17 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 t -64.84 -37.27 87.05 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 175.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.44 -37.74 77.51 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.383 -0.823 . . . . 0.0 112.737 172.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.8 mmm -65.77 -40.4 92.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.868 0.758 . . . . 0.0 111.72 174.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.09 -35.01 77.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.548 -0.72 . . . . 0.0 112.294 173.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 m -68.25 -6.34 23.22 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 60.4 mtt -100.31 3.25 43.27 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.261 1.424 . . . . 0.0 113.647 173.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.344 1.3 p -123.57 15.81 9.57 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.915 1.686 . . . . 0.0 115.07 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -179.53 -174.06 45.21 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 126.419 1.961 . . . . 0.0 112.215 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 75.09 178.16 41.3 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.506 1.051 . . . . 0.0 115.234 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -75.35 161.7 29.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.826 1.25 . . . . 0.0 113.174 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -153.6 162.48 41.21 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.773 1.629 . . . . 0.0 111.088 173.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 77.9 mtm -67.93 152.61 45.28 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.883 0.873 . . . . 0.0 112.836 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 C-N-CA 125.343 1.449 . . . . 0.0 112.983 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 118.646 -0.692 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -66.56 140.93 58.82 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 122.927 2.418 . . . . 0.0 111.872 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -6.02 49.11 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.798 1.239 . . . . 0.0 114.193 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -47.32 -51.45 19.25 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -68.81 -31.97 71.35 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -65.46 -19.87 66.12 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.434 -0.791 . . . . 0.0 112.555 173.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -90.0 -39.13 13.15 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 167.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -70.63 -33.84 71.44 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.396 1.078 . . . . 0.0 112.072 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 18.0 tp -58.46 -30.89 67.31 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.92 -1.112 . . . . 0.0 112.385 174.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.34 -28.86 69.59 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.628 1.571 . . . . 0.0 112.324 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.29 -53.6 41.58 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.302 0.641 . . . . 0.0 111.052 173.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.0 ptp -70.15 -23.55 63.02 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -66.52 -18.42 65.36 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.891 1.676 . . . . 0.0 113.063 169.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.92 6.96 56.83 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.54 1.543 . . . . 0.0 115.337 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.04 27.07 71.81 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 118.576 1.188 . . . . 0.0 114.712 172.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.11 -126.1 25.54 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 118.368 1.084 . . . . 0.0 112.056 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 pm0 -68.86 -7.5 35.13 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.208 1.403 . . . . 0.0 114.706 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -70.84 -11.79 61.17 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -140.11 149.86 43.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.294 1.438 . . . . 0.0 111.896 171.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.31 150.86 48.43 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 167.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.302 39.2 t80 -63.03 -65.67 0.65 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 55.38 -11.2 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 128.427 2.691 . . . . 0.0 118.122 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.01 -30.37 0.77 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.941 2.21 . . . . 0.0 115.923 177.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -140.65 167.22 22.67 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.202 1.801 . . . . 0.0 111.612 -175.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.9 t 65.71 -67.29 0.14 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.868 2.467 . . . . 0.0 114.882 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.2 t -61.96 147.26 90.32 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 128.844 2.858 . . . . 0.0 111.241 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -46.18 146.73 4.31 Favored 'Trans proline' 0 CA--C 1.546 1.114 0 C-N-CA 124.607 3.538 . . . . 0.0 114.763 170.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 p -137.57 155.64 48.99 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.058 1.743 . . . . 0.0 114.902 -169.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.5 118.3 9.24 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 176.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.32 -164.73 54.89 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 116.329 1.291 . . . . 0.0 116.329 171.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.9 169.36 23.63 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.515 2.326 . . . . 0.0 109.946 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.271 0.4 OUTLIER -65.19 141.1 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 179.496 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.26 1.2 p -101.74 160.63 14.3 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.564 1.691 . . . . 0.0 115.564 -177.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.403 0.2 OUTLIER 58.41 30.59 19.85 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 174.352 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.6 t -151.45 157.83 42.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.411 1.484 . . . . 0.0 111.695 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -73.02 -23.49 60.62 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.641 1.176 . . . . 0.0 113.733 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 pt -87.09 148.96 46.4 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 124.752 1.221 . . . . 0.0 112.159 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -78.74 -28.42 4.18 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.397 2.731 . . . . 0.0 113.254 172.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.97 154.6 22.12 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.957 2.103 . . . . 0.0 110.349 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.5 p -76.9 -27.76 55.08 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -147.14 155.73 42.39 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.255 1.822 . . . . 0.0 111.689 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.8 134.6 44.99 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.127 0.571 . . . . 0.0 111.521 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.5 mp0 -72.28 -170.21 0.6 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.549 1.14 . . . . 0.0 110.552 166.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.27 129.11 20.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 177.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.0 mt -84.5 144.21 28.85 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.65 1.18 . . . . 0.0 112.282 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 m -97.89 -19.7 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -172.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 49.43 69.74 2.5 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 127.187 2.195 . . . . 0.0 113.159 -172.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.53 163.88 37.56 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.22 2.613 . . . . 0.0 113.86 -171.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 30.9 mtmt -58.32 149.62 58.1 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 124.632 1.173 . . . . 0.0 112.433 175.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -61.65 -31.43 86.56 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.773 2.315 . . . . 0.0 112.545 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.4 -35.68 79.98 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.358 1.063 . . . . 0.0 112.329 172.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.9 tp -76.05 -45.64 33.24 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.225 0.61 . . . . 0.0 111.474 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 tp -53.27 -39.9 64.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.057 0.943 . . . . 0.0 111.846 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -55.8 -42.13 75.17 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.611 1.165 . . . . 0.0 113.026 171.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.47 -41.95 88.23 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.145 0.978 . . . . 0.0 111.929 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.4 -42.36 98.78 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.412 0.625 . . . . 0.0 110.947 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -71.01 -22.44 62.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.582 1.153 . . . . 0.0 114.094 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.7 m -64.37 -21.32 66.59 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.784 0.833 . . . . 0.0 112.635 169.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.8 m -109.65 16.17 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.778 1.631 . . . . 0.0 113.112 168.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.37 30.82 39.68 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.986 1.279 . . . . 0.0 115.773 168.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.52 132.08 45.71 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 118.909 1.354 . . . . 0.0 111.118 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -81.51 -39.28 24.97 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -167.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -77.47 165.13 24.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.627 1.571 . . . . 0.0 114.928 -173.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -92.12 -15.64 27.43 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.124 1.769 . . . . 0.0 114.276 166.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.5 p -143.88 143.98 31.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.564 1.545 . . . . 0.0 109.352 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -140.61 163.85 31.75 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.034 1.734 . . . . 0.0 112.991 -169.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -86.41 165.96 15.92 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.318 1.447 . . . . 0.0 114.343 167.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.4 mtp -58.89 -41.06 86.24 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.879 -1.138 . . . . 0.0 112.523 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -63.56 -40.14 96.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.687 0.795 . . . . 0.0 112.49 174.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -68.27 -41.98 80.27 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.34 -47.32 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.04 -47.45 85.18 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.699 0.681 . . . . 0.0 111.105 175.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -51.76 -58.45 6.37 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -60.88 -37.31 81.73 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 tp -65.14 -43.63 91.23 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.199 1.0 . . . . 0.0 111.976 173.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.4 99.14 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.283 -0.886 . . . . 0.0 112.826 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.81 -36.57 79.4 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.85 -0.794 . . . . 0.0 112.352 171.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -64.53 -48.99 73.05 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.9 -38.44 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.497 1.119 . . . . 0.0 111.589 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 73.4 mtm -65.4 -54.53 27.4 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 173.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -63.85 -32.99 74.7 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -79.96 -17.25 53.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.939 1.696 . . . . 0.0 114.133 172.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 52.09 48.02 23.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.912 2.485 . . . . 0.0 113.143 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.7 mt -74.74 -11.02 60.06 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -176.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.282 13.4 p90 -68.14 151.44 47.0 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 173.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.12 132.05 52.49 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 172.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -60.67 -26.36 67.04 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.226 -0.921 . . . . 0.0 113.352 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -83.96 -69.0 0.67 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.619 1.168 . . . . 0.0 110.932 170.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -92.23 82.6 5.0 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.503 1.121 . . . . 0.0 111.002 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -69.63 -5.81 27.17 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -89.22 3.65 51.28 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.304 1.441 . . . . 0.0 113.582 169.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.53 125.17 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.686 1.594 . . . . 0.0 110.115 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 t -91.25 135.35 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.778 1.631 . . . . 0.0 112.56 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.28 64.1 m-85 -112.66 64.75 0.63 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.036 2.134 . . . . 0.0 114.867 176.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.3 p -68.71 -3.58 12.68 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 -172.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -50.34 145.54 6.15 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.329 1.852 . . . . 0.0 114.877 -176.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 57.3 27.85 14.33 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.49 1.916 . . . . 0.0 115.358 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -145.51 174.87 10.78 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.723 1.209 . . . . 0.0 108.629 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.8 tp -53.14 -39.38 63.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.762 1.625 . . . . 0.0 113.109 -175.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.9 -35.83 72.47 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.42 -37.69 94.8 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.654 -0.654 . . . . 0.0 112.178 171.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.06 -32.67 74.49 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 170.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.01 -56.68 5.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.872 1.269 . . . . 0.0 112.318 172.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -68.67 -27.58 66.11 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.4 16.4 80.64 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.095 0.855 . . . . 0.0 114.618 -176.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 m -139.95 152.77 68.58 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 125.729 1.611 . . . . 0.0 109.771 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -73.8 -25.35 14.59 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.398 2.732 . . . . 0.0 113.665 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.5 p -163.44 161.44 24.28 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.497 1.119 . . . . 0.0 113.141 -176.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -159.94 153.73 22.86 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.866 1.266 . . . . 0.0 110.037 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.6 t -86.39 130.37 34.53 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.22 -0.925 . . . . 0.0 111.299 170.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.44 -24.35 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.912 0.885 . . . . 0.0 112.467 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.12 -22.17 66.68 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.498 1.519 . . . . 0.0 114.031 174.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -79.14 49.09 0.92 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.945 1.698 . . . . 0.0 112.032 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -50.6 -47.71 58.03 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.682 1.193 . . . . 0.0 113.467 -169.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.16 -40.62 81.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.884 1.274 . . . . 0.0 112.463 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.98 -42.9 65.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.815 1.246 . . . . 0.0 111.53 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.8 mt -58.88 -44.37 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.125 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -62.21 -46.67 87.85 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.53 1.059 . . . . 0.0 112.291 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.3 0.7 OUTLIER -64.88 -34.18 77.78 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 178.304 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 64.7 mtm -69.24 -46.65 66.81 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.78 -0.575 . . . . 0.0 111.966 169.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -72.4 -21.57 61.25 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.326 -0.859 . . . . 0.0 112.511 -175.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.4 -26.34 67.79 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.297 -0.877 . . . . 0.0 112.696 169.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.5 p -73.39 -5.03 37.17 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.932 -1.105 . . . . 0.0 113.612 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.453 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 35.7 mtt -92.5 -5.14 52.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.294 1.438 . . . . 0.0 112.568 169.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.255 1.5 p -133.17 14.78 4.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.503 2.321 . . . . 0.0 114.843 -178.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -177.48 -154.68 12.5 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.497 1.522 . . . . 0.0 112.907 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.38 151.45 48.47 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.531 1.062 . . . . 0.0 114.324 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -66.3 146.4 54.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.314 1.046 . . . . 0.0 113.343 -176.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -74.49 -26.69 60.18 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.257 1.023 . . . . 0.0 112.793 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.1 ttm -66.99 141.84 57.45 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.908 1.283 . . . . 0.0 112.515 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 C-N-CA 125.525 1.536 . . . . 0.0 113.248 179.176 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 62.2 tpp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.15 135.65 63.7 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.144 2.563 . . . . 0.0 113.367 178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -71.86 -19.44 61.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.732 1.213 . . . . 0.0 113.229 176.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -51.41 -55.64 17.54 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.96 -27.22 64.56 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.22 -45.55 92.83 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.534 -0.729 . . . . 0.0 111.03 170.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -64.07 -38.15 90.03 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 168.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -68.01 -37.18 81.12 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.016 0.526 . . . . 0.0 111.195 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.54 -45.55 92.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.237 1.015 . . . . 0.0 111.227 169.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -57.75 -36.79 72.58 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.014 1.326 . . . . 0.0 111.789 175.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -59.8 4.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.199 1.4 . . . . 0.0 112.142 175.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -82.22 -14.62 55.26 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.02 -33.0 74.49 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.197 -0.939 . . . . 0.0 111.191 167.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.96 -1.86 90.07 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.732 1.158 . . . . 0.0 115.091 169.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.73 141.1 24.12 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 118.722 1.261 . . . . 0.0 114.527 -173.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.47 33.26 0.04 OUTLIER Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.128 0.871 . . . . 0.0 114.408 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 58.51 13.07 2.34 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.191 1.796 . . . . 0.0 114.924 -172.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -68.46 -10.68 56.99 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.47 14.98 1.08 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 169.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.546 61.2 t80 64.94 25.05 12.73 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 -177.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.447 19.2 p90 54.48 21.92 3.58 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 119.517 3.155 . . . . 0.0 119.517 169.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.19 164.3 28.38 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.61 1.564 . . . . 0.0 112.615 -170.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.7 33.68 0.72 Allowed Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.209 1.862 . . . . 0.0 116.058 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.8 ptp -106.81 137.32 45.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.305 1.442 . . . . 0.0 111.561 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -73.78 123.05 23.41 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.713 -0.617 . . . . 0.0 109.514 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 t 65.93 138.99 0.05 OUTLIER Pre-proline 0 N--CA 1.484 1.229 0 C-N-CA 125.629 1.572 . . . . 0.0 113.342 -169.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -72.91 57.57 3.21 Favored 'Trans proline' 0 CA--C 1.549 1.232 0 C-N-CA 124.349 3.366 . . . . 0.0 112.452 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.42 0.6 OUTLIER 60.01 -48.85 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 119.196 3.036 . . . . 0.0 119.196 -175.415 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -89.53 -62.13 1.54 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.67 1.588 . . . . 0.0 114.815 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.09 156.45 15.92 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.968 1.27 . . . . 0.0 112.787 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.64 146.27 53.17 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.464 0.706 . . . . 0.0 112.308 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 m -76.04 -15.02 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.299 3.0 p -80.89 28.82 0.34 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 116.59 2.071 . . . . 0.0 116.59 -172.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -26.76 51.59 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 117.648 2.462 . . . . 0.0 117.648 -175.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.9 t -157.34 -48.58 0.07 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.508 1.523 . . . . 0.0 110.817 171.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -69.66 160.32 31.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.557 1.143 . . . . 0.0 111.902 169.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.28 156.34 69.9 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.283 1.433 . . . . 0.0 110.986 169.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.44 137.55 77.83 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.244 2.629 . . . . 0.0 113.145 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.82 76.71 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.8 p -162.79 160.21 24.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.057 1.743 . . . . 0.0 111.421 176.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.2 pm0 -64.45 151.19 44.93 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.139 0.975 . . . . 0.0 112.696 171.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -83.85 147.95 27.26 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.941 0.896 . . . . 0.0 111.006 170.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.5 mp0 -71.97 -9.97 59.12 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -173.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.37 130.33 44.26 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -176.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.64 149.72 24.71 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.516 1.126 . . . . 0.0 112.65 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.3 m -122.05 161.03 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 127.739 2.416 . . . . 0.0 112.409 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -108.42 88.78 5.3 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 124.454 1.102 . . . . 0.0 111.423 173.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -65.92 156.58 63.6 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.438 2.092 . . . . 0.0 112.589 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -55.4 148.34 33.38 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.076 0.95 . . . . 0.0 112.315 174.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -60.95 -31.06 91.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.844 2.363 . . . . 0.0 113.196 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.4 tp -66.28 -37.96 86.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.91 0.884 . . . . 0.0 112.53 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.5 tp -71.61 -44.79 63.78 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.949 0.9 . . . . 0.0 110.991 172.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.8 tp -56.67 -40.0 74.75 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.793 -0.567 . . . . 0.0 112.012 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.67 -37.02 77.65 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.456 -0.777 . . . . 0.0 112.826 172.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.57 -36.28 82.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.076 0.95 . . . . 0.0 112.175 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.8 -42.65 90.46 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.174 -0.954 . . . . 0.0 111.309 170.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -65.17 -23.07 67.0 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.076 1.509 . . . . 0.0 115.076 172.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 m -65.28 -16.83 63.98 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.958 0.799 . . . . 0.0 113.041 170.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.28 16.86 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.183 1.793 . . . . 0.0 112.843 168.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.53 22.22 58.8 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.416 1.326 . . . . 0.0 116.416 168.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.61 119.49 12.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.136 1.468 . . . . 0.0 111.498 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -71.51 -47.42 55.47 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -168.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -71.84 175.77 5.51 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.833 1.653 . . . . 0.0 113.27 -173.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -117.7 5.48 12.32 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.547 1.939 . . . . 0.0 114.898 168.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.27 138.81 35.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.132 2.173 . . . . 0.0 106.533 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -149.78 154.7 38.88 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -169.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -76.02 159.29 30.97 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.172 0.896 . . . . 0.0 112.966 165.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.8 mmt -57.85 -37.69 74.35 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 120.521 -1.362 . . . . 0.0 113.277 174.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -65.77 -39.99 91.57 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.421 1.088 . . . . 0.0 111.59 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.93 -46.04 83.28 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.414 1.007 . . . . 0.0 113.133 174.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.29 -50.31 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 118.589 0.632 . . . . 0.0 110.391 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.3 mt -59.72 -44.07 93.91 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.551 -0.737 . . . . 0.0 111.926 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -51.1 -56.04 14.65 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 173.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -60.69 -40.4 92.04 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 tp -63.44 -44.01 95.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.306 1.042 . . . . 0.0 111.94 173.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.9 97.82 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 121.368 -0.833 . . . . 0.0 112.504 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.97 -31.57 72.71 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.05 0.925 . . . . 0.0 112.583 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -66.98 -51.19 58.17 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 171.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.37 -40.51 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.918 1.287 . . . . 0.0 111.199 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.2 ttm -62.12 -56.67 16.49 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.251 1.42 . . . . 0.0 112.086 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -65.8 -33.69 76.43 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -77.83 -14.52 59.55 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.025 1.73 . . . . 0.0 113.846 172.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 52.88 45.27 29.1 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.591 2.356 . . . . 0.0 113.464 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.54 -10.07 59.19 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -62.63 148.88 44.97 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -67.82 129.84 41.14 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.17 -0.956 . . . . 0.0 112.106 167.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -59.49 -29.83 68.12 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.133 -0.979 . . . . 0.0 113.132 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -81.42 -62.34 1.68 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.057 0.943 . . . . 0.0 110.741 173.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -99.75 81.48 2.47 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.216 1.406 . . . . 0.0 110.487 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -66.94 -14.52 62.9 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.939 -1.101 . . . . 0.0 113.705 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -75.94 0.59 17.85 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.544 1.138 . . . . 0.0 113.185 169.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.8 mt -119.13 132.62 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.541 1.936 . . . . 0.0 110.103 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.6 t -110.54 127.57 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 126.114 1.766 . . . . 0.0 110.873 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.278 58.2 m-85 -98.09 71.42 2.13 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.673 1.989 . . . . 0.0 115.599 178.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.2 p -67.76 -4.02 11.15 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t -46.22 131.0 10.49 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.937 1.695 . . . . 0.0 113.751 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 59.92 0.12 0.25 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.22 168.56 13.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.632 1.173 . . . . 0.0 111.824 171.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.4 tp -51.04 -42.32 60.4 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.382 1.073 . . . . 0.0 111.236 168.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.42 -33.96 75.82 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.14 -29.49 73.0 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 123.701 0.667 . . . . 0.0 113.479 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.78 -28.31 62.52 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 171.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.15 -57.66 3.74 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.931 0.892 . . . . 0.0 111.875 170.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.302 23.9 m-85 -68.49 -25.53 65.02 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 117.458 2.392 . . . . 0.0 117.458 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.15 18.76 78.16 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.091 0.853 . . . . 0.0 114.82 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.44 155.66 69.85 Favored Pre-proline 0 N--CA 1.479 0.98 0 C-N-CA 125.902 1.681 . . . . 0.0 109.936 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.85 -26.04 22.9 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.119 2.546 . . . . 0.0 113.305 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.7 p -160.87 161.94 31.98 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.568 1.147 . . . . 0.0 112.804 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -150.76 157.25 42.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.822 1.249 . . . . 0.0 107.846 172.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.5 p -99.56 135.8 40.44 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.255 -0.903 . . . . 0.0 112.105 172.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.94 -30.28 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.348 1.059 . . . . 0.0 113.168 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -61.43 -32.15 72.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.147 1.379 . . . . 0.0 112.649 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -81.38 71.23 8.38 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 124.037 1.875 . . . . 0.0 112.585 170.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -56.61 -48.19 78.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.58 -2.1 . . . . 0.0 111.284 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -57.27 -38.32 73.71 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.799 1.64 . . . . 0.0 113.413 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -68.72 -40.65 79.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.375 1.07 . . . . 0.0 110.888 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.59 -52.04 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 119.239 -0.41 . . . . 0.0 110.414 171.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -53.45 -44.52 68.96 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.254 1.2 t -63.91 -36.41 83.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 173.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 76.9 mtm -71.32 -40.0 71.04 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.492 -0.755 . . . . 0.0 112.7 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.2 mmm -65.31 -33.86 76.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.312 1.045 . . . . 0.0 112.122 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.25 85.26 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.312 0.645 . . . . 0.0 111.998 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.5 m -66.93 -19.16 65.68 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 40.7 mtt -83.97 -5.31 59.2 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.26 1.0 OUTLIER -132.6 -30.21 1.47 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -118.94 -1.18 14.7 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 125.638 1.59 . . . . 0.0 115.039 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.34 -175.4 50.95 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 118.53 1.165 . . . . 0.0 114.826 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -137.38 159.86 40.72 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.193 1.797 . . . . 0.0 111.488 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -149.5 162.36 40.31 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.087 1.355 . . . . 0.0 111.817 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.3 ttm -148.17 -41.77 0.16 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.54 1.136 . . . . 0.0 113.366 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.186 0 C-N-CA 125.251 1.405 . . . . 0.0 113.165 177.864 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 4.2 ppp? . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.17 119.16 6.17 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.935 2.424 . . . . 0.0 109.971 170.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 63.4 mmt-85 -57.97 -32.67 68.07 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -169.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -73.14 -31.49 64.31 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 118.74 2.866 . . . . 0.0 118.74 173.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -66.06 -39.33 90.0 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -168.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -65.82 -13.17 58.99 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -86.54 -46.76 9.85 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 167.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -67.02 -31.02 71.28 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.229 1.012 . . . . 0.0 112.189 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.78 -29.96 63.16 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.123 -0.985 . . . . 0.0 112.487 172.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -70.98 -24.57 62.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.432 1.093 . . . . 0.0 113.076 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.05 -50.13 67.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.336 0.516 . . . . 0.0 111.372 169.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.5 ptp -73.23 -30.55 63.56 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.437 0.562 . . . . 0.0 111.873 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.33 -39.94 94.9 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.589 1.156 . . . . 0.0 111.678 171.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.33 -6.73 55.32 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.442 1.02 . . . . 0.0 114.069 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.17 -17.56 38.37 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.361 1.458 . . . . 0.0 114.252 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.31 -27.09 70.13 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 119.037 1.418 . . . . 0.0 113.417 169.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -98.1 -35.8 10.29 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.278 1.431 . . . . 0.0 112.345 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.256 1.8 p30 60.6 -31.37 0.06 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 130.651 3.58 . . . . 0.0 116.957 -178.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 54.82 13.97 0.82 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.035 2.134 . . . . 0.0 115.823 179.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -74.53 -35.62 63.14 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 120.775 -1.203 . . . . 0.0 110.632 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.271 36.8 t80 -76.14 136.35 39.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 173.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -81.56 88.87 6.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.365 1.066 . . . . 0.0 111.48 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.78 159.33 46.11 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.336 0.97 . . . . 0.0 114.268 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -66.47 -22.55 66.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.903 1.281 . . . . 0.0 113.866 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.8 m -142.78 161.84 37.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.373 1.869 . . . . 0.0 111.234 175.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.71 133.5 95.02 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.288 1.035 . . . . 0.0 111.937 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.59 45.03 1.65 Allowed 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 124.532 3.488 . . . . 0.0 112.862 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.93 126.35 22.09 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . 0.364 84.3 m-20 60.12 12.69 3.38 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 117.464 2.394 . . . . 0.0 117.464 -171.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.51 165.77 33.45 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.554 1.55 . . . . 0.0 114.679 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.32 155.05 40.59 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.851 1.26 . . . . 0.0 112.46 176.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.67 118.33 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.761 0.824 . . . . 0.0 111.37 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -158.92 160.85 36.54 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.319 1.448 . . . . 0.0 113.645 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.367 0.2 OUTLIER -119.72 15.1 12.69 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.912 1.685 . . . . 0.0 115.011 168.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.9 m 55.83 34.26 23.14 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.146 1.779 . . . . 0.0 114.573 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -63.46 -33.01 74.62 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.365 1.066 . . . . 0.0 113.597 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 mm -120.79 144.03 37.97 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.183 1.793 . . . . 0.0 109.5 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -64.43 158.35 49.84 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.474 2.782 . . . . 0.0 114.467 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.7 -6.11 34.75 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -69.06 1.91 3.16 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -59.64 -12.16 6.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -72.8 52.96 0.32 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.865 1.666 . . . . 0.0 112.274 173.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -70.9 -14.44 62.39 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.314 1.845 . . . . 0.0 114.645 -174.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.82 129.46 41.99 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.1 mt -79.26 150.53 31.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.956 0.903 . . . . 0.0 113.138 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 m -133.86 158.87 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 127.723 2.409 . . . . 0.0 111.746 169.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.72 92.98 26.52 Favored Pre-proline 0 N--CA 1.472 0.641 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 169.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.31 173.31 10.76 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.319 2.679 . . . . 0.0 113.972 -173.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 19.0 ptpt -60.65 150.92 73.59 Favored Pre-proline 0 N--CA 1.481 1.086 0 C-N-CA 124.181 0.992 . . . . 0.0 111.934 173.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -63.85 -28.33 67.48 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.936 2.424 . . . . 0.0 114.144 -175.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.92 -35.01 77.14 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.815 0.734 . . . . 0.0 112.197 171.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 tp -76.31 -43.45 41.28 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 122.863 0.465 . . . . 0.0 110.441 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.81 -42.99 76.47 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.388 0.54 . . . . 0.0 111.864 172.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -57.83 -42.68 84.85 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.146 0.978 . . . . 0.0 112.52 171.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.96 -42.2 85.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.144 0.978 . . . . 0.0 111.701 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.2 mt -64.44 -41.96 96.26 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.417 1.087 . . . . 0.0 110.498 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.64 -22.78 62.47 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.9 m -64.19 -20.24 65.88 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.9 m -110.52 15.62 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.916 1.686 . . . . 0.0 113.232 168.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.93 29.31 34.94 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.042 1.306 . . . . 0.0 115.893 168.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.51 138.08 53.05 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.203 1.501 . . . . 0.0 111.214 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -102.08 -13.03 17.67 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 116.272 1.952 . . . . 0.0 116.272 -167.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -91.94 163.01 14.17 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.528 1.131 . . . . 0.0 112.806 -169.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -97.61 -5.03 36.38 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.967 1.707 . . . . 0.0 115.35 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -152.37 150.13 29.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.42 1.888 . . . . 0.0 106.104 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.39 149.77 43.06 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -171.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.255 0.7 OUTLIER -77.1 155.14 32.63 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 166.128 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 84.2 mmm -59.12 -34.05 71.58 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.78 -1.2 . . . . 0.0 112.464 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -73.8 -35.24 64.88 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.863 0.865 . . . . 0.0 112.789 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -62.46 -43.96 97.55 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.113 0.87 . . . . 0.0 112.397 169.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.58 -50.76 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.859 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -55.16 -45.23 75.68 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.415 1.007 . . . . 0.0 111.929 175.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -53.88 -57.37 11.17 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 173.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -63.94 -40.36 96.28 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.97 -42.21 97.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.885 1.274 . . . . 0.0 111.427 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.16 -44.87 97.58 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 123.35 0.5 . . . . 0.0 112.423 173.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -62.89 -32.76 74.09 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.774 1.23 . . . . 0.0 112.545 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -65.88 -54.32 28.12 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 171.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.32 -39.12 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.488 1.115 . . . . 0.0 111.14 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.9 ttm -61.9 -57.42 11.82 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.582 1.553 . . . . 0.0 112.03 173.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.33 -35.18 79.72 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -74.8 -14.25 60.67 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.798 1.639 . . . . 0.0 113.367 172.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 53.16 45.81 27.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.105 2.162 . . . . 0.0 113.641 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.1 mt -78.11 -5.19 50.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.49 1.116 . . . . 0.0 113.982 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -69.32 147.5 51.04 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -64.28 133.67 53.19 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -66.81 -26.97 67.19 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.146 -0.971 . . . . 0.0 113.243 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -84.0 -54.54 4.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.914 1.286 . . . . 0.0 111.56 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.12 100.39 9.94 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.837 1.255 . . . . 0.0 111.385 172.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -60.3 -21.79 62.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.836 0.854 . . . . 0.0 113.25 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -87.32 -2.38 58.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.881 1.673 . . . . 0.0 113.998 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.96 135.71 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 119.956 1.253 . . . . 0.0 109.841 174.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 p -114.98 135.46 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.211 1.404 . . . . 0.0 110.361 176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.256 46.0 m-85 -99.53 97.54 8.53 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.162 1.785 . . . . 0.0 115.05 174.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.5 m -77.65 -21.51 52.06 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.181 1.393 . . . . 0.0 112.409 -176.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.0 p -58.89 150.69 23.53 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.954 1.301 . . . . 0.0 113.543 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 59.14 17.34 5.52 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.96 1.704 . . . . 0.0 115.114 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -137.37 165.76 25.45 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.571 1.548 . . . . 0.0 112.162 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.1 tp -49.37 -36.58 22.04 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.301 1.44 . . . . 0.0 112.204 169.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.0 tp -55.03 -35.18 64.17 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.16 -32.52 84.21 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.048 0.833 . . . . 0.0 113.57 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.01 -26.12 61.21 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.83 -60.44 2.23 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.811 0.845 . . . . 0.0 111.302 169.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.284 44.2 m-85 -74.74 -24.0 58.65 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 118.54 2.792 . . . . 0.0 118.54 -173.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.86 15.91 74.17 Favored Glycine 0 CA--C 1.54 1.626 0 N-CA-C 114.79 0.676 . . . . 0.0 114.79 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.44 153.9 74.87 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 126.28 1.832 . . . . 0.0 109.011 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.47 -28.07 22.3 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.223 2.615 . . . . 0.0 113.334 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.2 p -166.09 162.7 17.96 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.253 1.421 . . . . 0.0 112.185 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -154.76 159.23 40.51 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.224 0.61 . . . . 0.0 111.977 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.9 t -87.15 125.8 34.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.518 0.727 . . . . 0.0 110.415 168.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.0 -22.84 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.952 1.701 . . . . 0.0 112.386 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -69.42 -12.88 62.03 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 171.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -77.1 49.76 0.7 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.739 1.215 . . . . 0.0 111.588 173.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -53.27 -43.59 67.57 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.708 1.203 . . . . 0.0 112.692 -169.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -58.93 -34.61 71.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.478 1.111 . . . . 0.0 113.806 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -75.58 -45.99 34.49 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.37 1.068 . . . . 0.0 110.763 173.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.47 -42.83 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.278 0.631 . . . . 0.0 110.831 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -57.57 -44.9 85.65 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.311 1.0 OUTLIER -67.34 -34.91 78.31 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 173.293 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.1 mtm -65.8 -40.07 91.56 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.225 -0.922 . . . . 0.0 112.378 170.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.5 mmm -65.34 -40.83 94.16 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.102 0.961 . . . . 0.0 111.892 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.22 81.64 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.602 0.761 . . . . 0.0 112.542 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.2 t -60.92 -34.83 75.29 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.089 -1.007 . . . . 0.0 112.637 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.41 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 35.1 mtt -69.08 -9.69 53.87 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p -121.42 -30.82 4.18 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.38 -30.31 50.19 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.714 1.15 . . . . 0.0 113.886 169.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.26 168.35 29.97 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.042 1.306 . . . . 0.0 115.196 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.25 65.96 6.6 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.739 1.615 . . . . 0.0 111.622 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -64.33 -15.65 60.73 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -172.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.1 tpp -63.73 -29.32 70.56 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.605 1.162 . . . . 0.0 113.103 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 CA-C-O 118.028 -1.429 . . . . 0.0 114.117 -178.916 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 119.008 -0.52 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.6 139.47 48.8 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.029 2.486 . . . . 0.0 111.349 173.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 156.51 33.01 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.806 0.842 . . . . 0.0 112.727 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -38.02 -44.31 0.8 Allowed 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 118.648 2.833 . . . . 0.0 118.648 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -61.42 -30.36 70.52 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.52 -19.63 65.83 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.108 -0.995 . . . . 0.0 113.299 176.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -87.43 -43.43 12.09 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 167.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -65.68 -34.48 78.3 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.497 1.119 . . . . 0.0 112.042 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.14 -32.91 64.7 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.195 0.998 . . . . 0.0 112.69 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -72.38 -20.26 61.48 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.593 1.157 . . . . 0.0 112.877 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.58 -47.07 80.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.229 0.468 . . . . 0.0 110.347 168.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 19.0 mtm -76.88 -35.71 57.24 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.323 0.649 . . . . 0.0 111.973 -174.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.35 -16.81 64.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.422 1.089 . . . . 0.0 113.468 169.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.94 -129.13 5.0 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.949 1.737 . . . . 0.0 113.793 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.31 -139.95 33.06 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.188 1.375 . . . . 0.0 112.705 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.08 -112.26 2.78 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.836 1.208 . . . . 0.0 113.659 170.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -65.47 -21.68 66.67 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.682 1.193 . . . . 0.0 114.191 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.31 -51.05 9.94 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.38 -0.825 . . . . 0.0 111.671 175.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -163.21 146.26 10.45 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.325 1.85 . . . . 0.0 109.737 174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -146.94 -49.97 0.19 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -66.44 165.19 14.79 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 169.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -64.85 110.76 2.53 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.409 -0.807 . . . . 0.0 110.36 171.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.78 -12.36 84.59 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-O 118.783 -1.009 . . . . 0.0 115.48 -171.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 62.7 mtt 53.2 60.36 3.8 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.491 1.516 . . . . 0.0 111.455 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.9 m 61.33 48.84 5.76 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.163 1.785 . . . . 0.0 112.961 -168.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 t 68.79 130.37 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.953 1.701 . . . . 0.0 113.67 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -64.62 -31.15 60.1 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.593 2.196 . . . . 0.0 113.878 -173.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 t -153.96 140.21 18.54 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.375 1.47 . . . . 0.0 113.677 169.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -83.1 168.03 17.26 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-O 121.862 0.839 . . . . 0.0 110.247 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.55 -10.27 38.29 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 125.144 1.354 . . . . 0.0 113.877 -169.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.15 149.12 49.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.835 1.254 . . . . 0.0 111.635 169.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 m -136.76 161.45 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.889 1.676 . . . . 0.0 111.851 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.288 1.2 p -65.79 141.18 58.39 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 176.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.67 136.78 26.1 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.829 1.651 . . . . 0.0 114.316 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.7 m -55.53 130.5 43.12 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -172.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -146.9 167.5 23.8 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.536 1.934 . . . . 0.0 111.256 -175.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 pt -68.64 149.63 97.9 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 123.284 0.634 . . . . 0.0 111.935 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -61.06 164.76 13.66 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.36 2.707 . . . . 0.0 114.833 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.04 154.94 17.97 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.265 1.026 . . . . 0.0 112.767 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.1 t -62.1 126.21 26.54 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.141 0.976 . . . . 0.0 113.314 -173.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -68.99 -15.24 63.43 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.863 1.265 . . . . 0.0 113.072 176.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -70.45 -23.75 62.76 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.464 1.106 . . . . 0.0 113.265 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 62.75 137.32 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 128.215 2.606 . . . . 0.0 116.353 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.84 126.12 18.62 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.2 mt -74.51 149.55 40.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.456 1.102 . . . . 0.0 112.586 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.8 -21.44 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -175.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 51.79 83.29 0.23 Allowed Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 127.513 2.325 . . . . 0.0 112.713 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.63 163.2 33.83 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.83 2.353 . . . . 0.0 113.262 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -54.14 142.12 48.38 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.831 2.052 . . . . 0.0 111.576 172.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -55.4 -34.1 87.92 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.102 2.535 . . . . 0.0 114.963 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.4 -34.36 77.78 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.84 0.856 . . . . 0.0 112.874 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.4 tp -74.44 -42.85 58.41 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.14 0.976 . . . . 0.0 110.912 172.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.8 tp -56.59 -37.87 71.23 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.6 0.76 . . . . 0.0 112.297 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -60.25 -36.6 78.15 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.567 1.147 . . . . 0.0 112.956 171.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -47.06 86.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.247 1.019 . . . . 0.0 110.459 173.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.79 -40.69 97.27 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.505 -0.747 . . . . 0.0 111.531 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -70.7 -20.73 62.65 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 176.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.0 m -66.42 -17.88 65.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.739 0.815 . . . . 0.0 112.374 168.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.6 m -113.99 15.98 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.153 1.781 . . . . 0.0 113.268 168.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.93 25.24 46.04 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 116.959 1.544 . . . . 0.0 116.959 168.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.0 119.11 10.15 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.418 1.609 . . . . 0.0 111.255 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -75.29 -43.39 51.38 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -167.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -68.84 174.33 4.49 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.815 1.646 . . . . 0.0 113.003 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -112.37 1.54 16.07 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.498 1.919 . . . . 0.0 115.763 169.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -138.29 140.32 39.53 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.1 1.76 . . . . 0.0 106.961 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -143.81 155.58 44.19 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -171.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -85.48 159.79 19.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.519 1.128 . . . . 0.0 114.006 167.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.6 mtp -57.69 -36.79 72.44 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.046 1.294 . . . . 0.0 112.8 176.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.46 -42.31 92.46 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.914 1.286 . . . . 0.0 111.592 172.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.58 -41.66 92.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.252 0.933 . . . . 0.0 113.207 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.71 -51.91 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.858 0.863 . . . . 0.0 109.996 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.1 mt -58.48 -43.83 89.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.476 0.71 . . . . 0.0 111.346 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -52.63 -55.72 20.46 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 175.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -64.16 -38.43 91.03 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 175.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -64.44 -40.78 96.38 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.066 0.946 . . . . 0.0 111.553 173.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.66 -43.34 99.39 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 121.616 -0.677 . . . . 0.0 112.235 172.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -61.39 -33.9 74.44 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.363 1.082 . . . . 0.0 113.273 171.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -67.68 -50.34 58.2 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.8 mt -60.63 -38.58 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.509 1.124 . . . . 0.0 111.13 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 44.2 ttm -61.61 -58.22 8.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.288 1.435 . . . . 0.0 111.966 172.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -64.99 -32.5 74.26 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -177.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -81.72 -14.51 56.43 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.809 1.644 . . . . 0.0 114.232 173.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 51.88 48.4 22.87 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.135 2.174 . . . . 0.0 113.513 -174.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.86 -8.12 56.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -64.49 147.92 51.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 172.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -60.33 130.71 47.99 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 171.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.47 -26.17 65.03 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -87.11 -68.95 0.71 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.714 1.206 . . . . 0.0 111.813 170.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -88.8 99.76 12.62 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.672 0.789 . . . . 0.0 111.402 -177.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -64.67 -19.66 65.85 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.506 -0.746 . . . . 0.0 112.424 -175.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -89.51 10.35 23.16 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.198 1.799 . . . . 0.0 114.223 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.0 mt -126.0 136.2 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.996 1.271 . . . . 0.0 109.906 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.09 139.8 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.919 1.688 . . . . 0.0 112.986 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -122.6 125.92 46.65 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.064 2.146 . . . . 0.0 114.455 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.5 t -158.68 106.44 1.88 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.85 0.86 . . . . 0.0 110.395 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.2 p -121.48 151.45 40.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.563 1.545 . . . . 0.0 111.59 169.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.79 25.63 8.6 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.728 1.611 . . . . 0.0 115.214 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -143.65 168.68 19.31 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.721 1.608 . . . . 0.0 108.754 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.1 tp -50.06 -51.05 45.63 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.66 1.584 . . . . 0.0 114.742 -168.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.51 -34.03 77.31 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.267 0.94 . . . . 0.0 113.444 -175.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.77 -33.79 86.44 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 123.598 0.618 . . . . 0.0 112.848 171.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -71.79 -30.46 65.56 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 171.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.25 -56.87 6.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.394 0.677 . . . . 0.0 111.662 169.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.281 32.6 m-85 -69.17 -26.05 64.66 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 117.526 2.417 . . . . 0.0 117.526 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.36 16.18 77.24 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.905 0.764 . . . . 0.0 114.431 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.68 151.09 62.3 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 126.236 1.814 . . . . 0.0 109.16 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.8 -22.11 24.06 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.557 2.838 . . . . 0.0 113.314 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.3 p -161.05 160.92 31.09 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.931 1.292 . . . . 0.0 112.879 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -157.22 155.95 31.74 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.165 0.986 . . . . 0.0 110.471 173.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -87.33 128.43 35.18 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.125 0.97 . . . . 0.0 112.167 170.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.81 -37.23 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.627 1.571 . . . . 0.0 112.514 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.33 -24.87 62.19 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.544 1.138 . . . . 0.0 113.024 -178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -77.7 56.5 1.49 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.221 1.408 . . . . 0.0 111.514 172.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -49.98 -40.35 43.85 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.398 1.479 . . . . 0.0 114.293 -168.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -50.42 -42.35 53.71 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.299 1.44 . . . . 0.0 114.132 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -73.28 -31.11 63.87 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.569 1.148 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.7 mt -72.11 -45.97 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.825 -0.547 . . . . 0.0 110.821 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -56.12 -46.33 79.2 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.4 t -61.63 -38.05 86.22 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 174.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 74.2 mtm -72.73 -43.23 63.21 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.335 0.654 . . . . 0.0 112.037 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.1 mmm -63.41 -40.22 96.61 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.956 0.902 . . . . 0.0 111.728 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.23 86.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.037 0.535 . . . . 0.0 111.919 173.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.5 m -70.76 -11.56 61.02 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 40.0 mtt -84.84 -4.18 58.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.241 1.016 . . . . 0.0 113.699 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.251 1.1 p -133.25 -36.87 0.98 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.96 157.18 24.95 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.916 1.722 . . . . 0.0 113.371 170.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.02 -158.47 50.47 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.197 0.903 . . . . 0.0 114.11 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -151.45 152.73 33.44 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.039 1.336 . . . . 0.0 111.798 176.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -79.97 155.78 27.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.277 1.031 . . . . 0.0 112.458 174.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 97.2 mtp -75.13 -15.65 60.58 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 170.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.521 2.01 . . . . 0.0 113.214 178.596 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 118.987 -0.53 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -58.38 156.63 29.86 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.892 3.061 . . . . 0.0 113.766 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -140.54 163.42 32.89 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.282 1.833 . . . . 0.0 112.84 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -40.48 -45.46 2.24 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 176.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -63.97 -27.07 68.88 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -65.98 -36.18 82.62 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.011 -1.056 . . . . 0.0 111.697 173.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -68.0 -40.02 83.1 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 168.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -73.42 -36.59 66.0 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.972 0.509 . . . . 0.0 112.057 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 19.4 tp -59.85 -31.26 69.6 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.459 -1.401 . . . . 0.0 112.182 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -67.38 -18.68 65.23 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.609 1.563 . . . . 0.0 112.884 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.4 mt -75.32 -49.59 18.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.394 1.078 . . . . 0.0 111.727 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.2 ptp -72.04 -23.57 61.4 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.825 0.739 . . . . 0.0 111.926 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -94.4 20.76 7.87 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.962 1.705 . . . . 0.0 111.487 167.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.33 -22.5 72.93 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.788 1.185 . . . . 0.0 115.13 -170.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.06 -9.29 56.65 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-N 118.4 1.1 . . . . 0.0 114.0 169.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.51 -149.74 6.28 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.965 1.745 . . . . 0.0 114.027 173.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -52.44 -27.14 14.83 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.667 1.987 . . . . 0.0 116.026 -168.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.479 HD21 ' CD2' ' A' ' 102' ' ' HIS . 12.3 p-10 -77.19 -27.96 53.76 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.1 mt -136.34 12.47 3.27 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 120.031 1.287 . . . . 0.0 114.335 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -57.17 -30.61 64.64 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 118.324 2.713 . . . . 0.0 118.324 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.287 36.3 t80 -55.43 128.45 34.39 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 117.882 2.549 . . . . 0.0 117.882 -175.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -82.24 93.33 7.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.441 1.097 . . . . 0.0 111.177 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.5 -146.75 11.98 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.13 0.871 . . . . 0.0 113.592 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.93 178.5 0.81 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.964 1.706 . . . . 0.0 112.858 172.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m 63.62 12.15 6.29 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -143.35 138.09 15.22 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.888 1.675 . . . . 0.0 106.844 -169.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.88 145.35 50.44 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.061 3.174 . . . . 0.0 113.177 -172.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -82.16 162.56 22.4 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 170.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 p30 -71.66 -44.51 64.16 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 173.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.72 155.33 17.56 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.47 1.51 . . . . 0.0 114.101 -176.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.42 137.84 56.21 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.891 0.876 . . . . 0.0 112.45 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.346 0.4 OUTLIER 56.59 23.93 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 179.277 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.275 1.2 t -60.14 144.25 50.3 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -176.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.38 0.2 OUTLIER 61.62 6.57 1.58 Allowed 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 -175.611 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t 56.15 -168.24 0.1 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.116 1.766 . . . . 0.0 113.233 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.4 137.94 57.81 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.819 -1.175 . . . . 0.0 111.616 174.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 24.5 pt -72.61 150.4 91.15 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 123.941 0.896 . . . . 0.0 113.17 -175.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -72.28 179.84 4.65 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 123.602 2.868 . . . . 0.0 111.297 169.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.48 148.17 29.24 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.502 -0.749 . . . . 0.0 112.008 170.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.6 p -63.78 -8.95 12.09 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -173.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -64.38 -21.24 66.57 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.385 1.474 . . . . 0.0 113.585 171.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -141.82 148.66 39.22 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.548 1.139 . . . . 0.0 112.994 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.22 151.55 47.33 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.915 1.286 . . . . 0.0 112.787 176.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 128.63 18.46 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.25 153.43 19.29 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.276 1.43 . . . . 0.0 112.581 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.7 m -126.81 159.42 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 127.459 2.304 . . . . 0.0 112.281 169.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.97 90.86 5.71 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 124.663 1.185 . . . . 0.0 110.078 172.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.56 145.62 87.67 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.685 2.256 . . . . 0.0 111.857 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 15.7 ptpt -61.87 157.71 48.16 Favored Pre-proline 0 N--CA 1.479 1.014 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.925 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -54.67 -37.44 91.32 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.127 2.551 . . . . 0.0 115.255 -172.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.31 -44.14 97.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.574 0.749 . . . . 0.0 112.216 175.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.1 tp -70.35 -46.38 64.24 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 123.499 0.72 . . . . 0.0 110.157 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.2 tp -56.68 -42.27 78.75 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.819 -0.55 . . . . 0.0 112.098 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -62.0 -39.26 91.62 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.0 112.823 171.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.93 -42.94 94.25 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.103 0.961 . . . . 0.0 111.485 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.87 -46.16 86.19 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.546 1.138 . . . . 0.0 110.671 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -66.59 -22.99 66.13 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.5 m -64.03 -19.2 65.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.967 0.803 . . . . 0.0 113.127 170.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.7 m -113.41 19.8 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.805 1.642 . . . . 0.0 112.911 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.02 34.78 32.56 Favored Glycine 0 CA--C 1.532 1.141 0 N-CA-C 116.031 1.172 . . . . 0.0 116.031 168.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.33 -21.24 64.76 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 118.966 1.383 . . . . 0.0 114.077 -177.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 65.71 -47.4 0.39 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 129.222 3.009 . . . . 0.0 117.769 170.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -69.12 173.06 5.92 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.151 1.38 . . . . 0.0 113.714 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -101.66 -10.11 20.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.708 1.603 . . . . 0.0 114.659 169.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -146.4 143.85 29.33 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.998 1.719 . . . . 0.0 106.984 -171.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -147.56 154.9 41.29 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -168.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -76.42 157.22 32.47 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 165.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.8 mmm -60.53 -30.72 69.92 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.488 -1.382 . . . . 0.0 112.946 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -66.32 -44.36 83.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.608 1.163 . . . . 0.0 111.224 173.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.57 -42.57 95.54 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.187 0.995 . . . . 0.0 112.765 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.13 -49.77 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 118.568 -0.729 . . . . 0.0 109.46 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.4 mt -60.04 -43.28 95.45 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.27 0.941 . . . . 0.0 111.756 176.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.87 -56.7 17.44 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -65.55 -38.73 90.44 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.69 -45.71 92.82 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.305 1.042 . . . . 0.0 111.174 173.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.02 99.98 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 123.624 0.63 . . . . 0.0 113.271 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -64.95 -32.97 74.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.934 1.294 . . . . 0.0 112.51 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -65.91 -50.47 64.35 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 170.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.68 -39.92 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.756 1.222 . . . . 0.0 111.099 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.8 ttm -62.95 -58.74 6.32 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.707 1.603 . . . . 0.0 112.073 173.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.35 -33.36 75.56 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -174.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.17 -1.03 42.98 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.208 1.403 . . . . 0.0 113.785 171.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 53.07 38.4 27.27 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 127.598 2.359 . . . . 0.0 113.339 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.4 mt -71.19 -10.35 59.6 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -172.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -66.88 146.96 53.85 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 169.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -66.62 130.85 44.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 -59.18 -26.92 65.21 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -84.05 -65.14 1.04 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.362 1.065 . . . . 0.0 111.39 172.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -99.86 88.14 3.7 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.223 1.009 . . . . 0.0 110.655 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -67.17 -11.51 57.52 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -82.53 -0.19 45.48 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.123 1.369 . . . . 0.0 113.634 169.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.0 mt -111.83 126.0 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.418 1.487 . . . . 0.0 109.661 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.1 t -97.29 131.59 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.591 1.556 . . . . 0.0 109.71 175.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -98.62 134.34 41.69 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.71 1.604 . . . . 0.0 114.043 168.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.1 p -145.3 18.85 1.56 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -169.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 p -59.3 105.39 0.34 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.687 1.195 . . . . 0.0 113.315 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.27 0.9 OUTLIER 53.36 13.79 0.47 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 128.919 2.888 . . . . 0.0 117.734 176.25 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.312 11.3 p30 -99.27 59.37 1.13 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.87 1.668 . . . . 0.0 114.662 175.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.8 tp 62.86 -53.38 0.17 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 128.859 2.864 . . . . 0.0 114.727 -172.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.11 -34.0 74.27 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -172.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.71 -24.97 74.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 121.523 -0.736 . . . . 0.0 114.201 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -71.15 -27.98 63.94 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.736 1.268 . . . . 0.0 113.871 170.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.34 -59.46 2.77 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.175 0.99 . . . . 0.0 112.077 169.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.314 32.5 m-85 -69.26 -21.64 63.89 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.39 16.68 80.47 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.366 0.984 . . . . 0.0 114.906 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 m -143.26 154.96 61.51 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 125.789 1.636 . . . . 0.0 110.164 -175.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.88 -21.26 16.34 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.833 3.022 . . . . 0.0 113.63 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.9 p -164.61 161.75 21.15 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.59 1.556 . . . . 0.0 111.865 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -155.33 154.7 32.46 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.018 0.927 . . . . 0.0 111.164 172.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.6 t -87.13 127.79 35.13 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.591 -0.693 . . . . 0.0 111.351 169.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.22 -22.69 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.793 1.637 . . . . 0.0 112.815 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.93 -22.69 66.95 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.314 1.446 . . . . 0.0 113.831 173.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -81.9 52.29 1.92 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.302 1.441 . . . . 0.0 111.961 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.479 ' CD2' HD21 ' A' ' 6' ' ' ASN . 91.1 m-70 -50.71 -46.65 59.04 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.623 1.569 . . . . 0.0 114.514 -169.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -69.17 -30.06 68.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -72.8 -44.74 61.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.415 0.686 . . . . 0.0 110.384 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.9 mt -56.98 -46.44 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.382 174.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -49.67 -50.67 42.62 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.29 1.0 OUTLIER -67.12 -38.02 84.88 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.308 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.7 mtm -67.26 -38.35 84.99 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.597 -0.69 . . . . 0.0 112.001 174.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -80.21 -30.73 38.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.574 1.15 . . . . 0.0 112.212 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.15 77.36 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.137 -0.977 . . . . 0.0 111.381 169.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.2 m -67.68 -5.44 15.88 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 173.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.406 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 44.8 mtt -89.61 -13.8 36.38 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.399 1.079 . . . . 0.0 113.557 170.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 p -131.96 -14.59 3.08 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -172.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -146.84 -154.82 6.3 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 126.285 1.898 . . . . 0.0 112.743 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.36 -150.33 28.5 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.192 0.901 . . . . 0.0 113.216 -174.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -147.42 166.48 27.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.874 1.27 . . . . 0.0 112.798 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -68.75 149.46 49.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.823 0.849 . . . . 0.0 111.475 169.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.6 ptm -78.87 -14.92 58.97 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.929 1.728 . . . . 0.0 112.97 -179.549 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 118.971 -0.537 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -70.34 142.7 46.03 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 122.967 2.445 . . . . 0.0 111.346 173.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -144.17 152.84 41.44 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.468 1.507 . . . . 0.0 112.619 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -47.99 -47.63 32.96 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 175.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -66.31 -27.93 68.29 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.16 -36.63 84.84 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.957 -1.089 . . . . 0.0 112.075 173.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -69.94 -41.16 74.94 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -71.88 -35.24 69.7 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.902 0.881 . . . . 0.0 111.941 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 17.3 tp -62.07 -30.63 71.13 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.647 -1.283 . . . . 0.0 112.181 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -68.29 -16.3 63.9 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.623 1.169 . . . . 0.0 113.178 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.31 -56.78 5.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.345 0.658 . . . . 0.0 109.896 167.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.2 ptp -71.95 -24.0 61.54 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -174.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -95.39 9.38 40.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.69 1.596 . . . . 0.0 113.617 173.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.79 -15.32 68.83 Favored Glycine 0 CA--C 1.538 1.52 0 O-C-N 121.127 -0.983 . . . . 0.0 115.111 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.36 -173.04 39.46 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.6 1.571 . . . . 0.0 112.753 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.57 -7.47 88.05 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.022 0.82 . . . . 0.0 115.036 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -141.08 170.27 16.04 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.396 1.879 . . . . 0.0 110.913 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -76.24 45.73 0.38 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.09 1.756 . . . . 0.0 112.905 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tp 53.46 35.87 21.73 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.277 2.231 . . . . 0.0 114.76 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -63.43 147.66 50.65 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.277 34.6 t80 -55.14 -36.39 65.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 117.726 2.491 . . . . 0.0 117.726 -175.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -137.71 134.83 35.81 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.127 1.371 . . . . 0.0 110.8 169.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.23 176.44 35.24 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.057 1.313 . . . . 0.0 112.746 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -81.13 155.25 26.33 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.625 0.77 . . . . 0.0 112.526 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 m 56.35 26.89 11.17 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.35 144.34 16.53 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 125.646 1.578 . . . . 0.0 108.464 -175.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -72.85 156.27 52.86 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.923 3.082 . . . . 0.0 113.153 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -43.81 86.71 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -155.92 -59.44 0.1 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.594 1.558 . . . . 0.0 114.364 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.82 151.04 19.75 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.136 1.827 . . . . 0.0 112.077 169.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.47 38.95 0.12 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.801 1.64 . . . . 0.0 115.127 -172.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 m -74.64 -18.41 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.621 1.569 . . . . 0.0 114.579 177.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 p -72.29 162.12 29.91 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.264 1.0 OUTLIER -63.11 155.26 28.45 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 -178.801 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -78.61 43.43 0.48 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.197 1.399 . . . . 0.0 112.84 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -70.23 114.9 8.83 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.664 -1.272 . . . . 0.0 110.856 175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -74.25 145.03 82.45 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.977 0.911 . . . . 0.0 112.29 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.06 157.02 55.18 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.283 2.655 . . . . 0.0 112.963 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.18 132.55 13.72 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.995 1.318 . . . . 0.0 111.236 171.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.1 t -162.92 153.08 16.15 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.55 1.54 . . . . 0.0 111.181 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -79.38 -13.26 59.73 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.748 1.219 . . . . 0.0 113.043 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -149.66 161.16 42.75 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.187 1.395 . . . . 0.0 113.547 -171.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -139.99 139.46 36.06 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.504 1.522 . . . . 0.0 111.415 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.39 134.27 48.82 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -174.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -76.74 143.16 40.12 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.044 0.938 . . . . 0.0 111.525 170.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 m -106.54 -24.68 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 47.02 74.36 0.83 Allowed Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.211 2.204 . . . . 0.0 112.754 -172.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.38 170.1 20.71 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.164 2.576 . . . . 0.0 112.99 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -58.5 148.93 63.49 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 123.931 0.892 . . . . 0.0 112.219 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -62.6 -25.77 75.56 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.029 2.486 . . . . 0.0 113.582 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 tp -61.12 -35.74 77.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.921 0.888 . . . . 0.0 112.264 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -77.26 -41.06 42.49 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.154 0.582 . . . . 0.0 111.714 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.3 tp -53.93 -40.28 66.62 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.978 0.511 . . . . 0.0 111.537 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.52 -40.56 91.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.898 0.879 . . . . 0.0 113.078 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.68 -43.71 92.67 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.02 0.928 . . . . 0.0 111.987 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.79 -42.24 95.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.53 0.732 . . . . 0.0 110.501 177.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -70.12 -21.25 63.13 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.609 -1.307 . . . . 0.0 114.41 176.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.6 m -64.36 -21.07 66.5 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.951 0.796 . . . . 0.0 112.842 169.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 m -108.43 15.69 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 125.841 1.657 . . . . 0.0 113.335 168.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.25 33.49 39.84 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.845 1.212 . . . . 0.0 114.78 170.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.49 135.9 54.9 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 118.67 1.235 . . . . 0.0 110.681 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -83.46 -3.66 57.8 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.249 2.685 . . . . 0.0 118.249 -165.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -130.37 175.57 8.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.381 1.472 . . . . 0.0 113.714 -169.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -107.2 -1.02 22.27 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.225 1.81 . . . . 0.0 115.293 168.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 p -143.4 144.22 31.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.524 1.93 . . . . 0.0 107.038 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -145.36 157.48 44.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.909 1.284 . . . . 0.0 113.981 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -83.47 161.13 21.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.441 1.096 . . . . 0.0 113.714 167.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 29.5 mtp -58.4 -35.58 72.24 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.789 -1.194 . . . . 0.0 112.801 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -65.09 -45.53 84.83 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.493 1.117 . . . . 0.0 111.283 174.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.9 -41.27 95.73 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.106 0.962 . . . . 0.0 112.911 177.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.34 -48.13 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.425 -0.798 . . . . 0.0 109.642 175.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.3 mt -58.31 -45.59 87.72 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.644 1.111 . . . . 0.0 111.303 175.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -53.82 -52.6 59.84 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 116.307 1.965 . . . . 0.0 116.307 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -71.96 -34.6 69.12 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.8 tp -65.24 -41.57 94.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.185 0.994 . . . . 0.0 111.569 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.1 99.74 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 121.614 -0.679 . . . . 0.0 112.621 172.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -62.07 -35.67 79.35 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.129 0.964 . . . . 0.0 113.329 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -66.21 -48.28 71.12 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.519 0.6 . . . . 0.0 112.405 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.7 mt -60.2 -38.64 78.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.262 1.025 . . . . 0.0 111.433 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.9 mtm -63.6 -56.49 15.48 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 172.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -63.13 -32.53 73.94 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -80.73 -17.94 49.42 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.79 1.636 . . . . 0.0 114.467 173.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 50.96 49.83 20.35 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.013 2.125 . . . . 0.0 113.296 -172.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.9 mt -73.79 -10.38 59.61 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -66.68 151.51 47.24 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 173.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.69 134.21 53.75 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 170.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -65.43 -27.86 68.82 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -81.42 -45.19 16.42 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.177 0.991 . . . . 0.0 111.587 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -129.67 100.28 5.45 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.126 1.37 . . . . 0.0 112.722 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -66.12 -15.7 63.33 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -73.94 -2.63 24.81 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 172.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.7 mt -116.82 135.16 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.642 1.577 . . . . 0.0 109.632 177.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.78 134.64 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.72 1.608 . . . . 0.0 110.538 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.277 65.1 m-85 -109.71 65.1 0.61 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 127.248 2.219 . . . . 0.0 115.374 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 p -70.88 -0.86 10.06 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 -172.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.4 t -51.82 143.7 12.71 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.316 1.846 . . . . 0.0 114.819 -175.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 56.08 26.74 10.46 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.459 1.904 . . . . 0.0 115.029 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -143.46 173.45 11.62 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.95 1.3 . . . . 0.0 108.624 -178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.3 tp -54.74 -40.52 69.4 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.571 1.548 . . . . 0.0 113.466 -172.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.33 -35.98 76.48 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.44 -36.02 92.08 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 121.65 -0.656 . . . . 0.0 112.346 173.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.77 -31.0 71.35 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 170.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.8 mt -75.75 -58.0 3.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.967 1.307 . . . . 0.0 112.637 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -70.21 -21.07 63.06 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.49 20.91 76.21 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.484 1.04 . . . . 0.0 114.774 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.37 153.4 65.97 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 125.323 1.449 . . . . 0.0 110.732 -176.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -73.34 -26.42 14.47 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.512 2.808 . . . . 0.0 113.454 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.9 p -162.2 160.35 26.93 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.807 1.243 . . . . 0.0 112.186 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -157.19 157.68 34.83 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.255 1.022 . . . . 0.0 109.904 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -91.63 130.36 37.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.946 0.898 . . . . 0.0 111.367 169.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.69 -26.74 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.566 1.146 . . . . 0.0 112.478 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -70.3 -16.24 62.99 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.49 1.116 . . . . 0.0 113.263 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -77.03 52.29 0.87 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.624 -1.297 . . . . 0.0 111.612 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -53.07 -45.78 68.28 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.315 1.446 . . . . 0.0 112.637 -171.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 ttm105 -58.78 -38.55 78.77 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.155 1.382 . . . . 0.0 112.972 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -69.24 -47.94 63.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.205 1.002 . . . . 0.0 110.906 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.9 mt -56.63 -45.99 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.256 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -57.33 -40.92 78.97 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.301 1.0 OUTLIER -73.9 -38.97 64.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 175.581 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 59.9 mtm -64.74 -36.66 85.03 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.353 -0.842 . . . . 0.0 112.158 172.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -34.8 57.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.266 1.026 . . . . 0.0 111.543 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.9 73.12 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.215 -0.928 . . . . 0.0 112.783 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.1 m -63.54 -14.63 53.15 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 55.8 mtt -77.94 -4.85 48.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.705 1.202 . . . . 0.0 114.004 173.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.372 0.7 OUTLIER -114.56 15.48 17.74 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -174.836 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -159.84 -158.14 9.01 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.719 1.628 . . . . 0.0 112.899 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.51 -147.91 37.92 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 123.999 0.809 . . . . 0.0 113.541 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -147.94 166.75 26.74 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.356 1.462 . . . . 0.0 112.229 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -146.39 162.4 38.3 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.514 1.525 . . . . 0.0 111.737 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -64.91 148.74 50.9 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.627 1.171 . . . . 0.0 112.883 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 C-N-CA 125.25 1.405 . . . . 0.0 113.652 176.169 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 20.8 t80 . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 117.376 2.361 . . . . 0.0 117.376 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -66.19 -28.57 68.86 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -64.49 -35.41 80.86 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.217 -0.927 . . . . 0.0 111.365 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -71.14 -43.37 67.71 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 169.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -66.28 -35.49 80.52 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.05 0.94 . . . . 0.0 111.655 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 39.1 tp -58.55 -32.31 68.77 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.042 -1.036 . . . . 0.0 112.539 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -72.4 -17.0 61.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.208 1.003 . . . . 0.0 113.553 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.69 -46.64 68.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.286 0.948 . . . . 0.0 110.088 167.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.2 mtm -78.27 -39.97 38.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.301 0.64 . . . . 0.0 111.341 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 126.667 1.987 . . . . 0.0 110.7 169.404 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.537 0.471 0 CA-C-O 121.427 0.632 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 113' ' ' THR . 1.4 m -133.88 163.99 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 127.319 2.247 . . . . 0.0 113.147 177.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.3 87.25 3.91 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 125.128 1.371 . . . . 0.0 112.225 173.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -66.11 148.13 84.89 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.719 2.28 . . . . 0.0 112.637 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -50.69 150.22 5.24 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 124.788 1.235 . . . . 0.0 113.149 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -56.16 -34.96 94.55 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.08 2.52 . . . . 0.0 113.638 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.11 -35.99 80.38 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.739 1.216 . . . . 0.0 112.557 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 tp -79.39 -41.1 28.5 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.877 0.871 . . . . 0.0 111.78 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.8 tp -55.93 -39.95 72.41 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.806 0.842 . . . . 0.0 111.807 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -55.85 -43.98 77.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.333 1.053 . . . . 0.0 112.604 169.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.22 -43.77 81.19 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.074 0.95 . . . . 0.0 111.866 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.71 -42.49 97.34 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.706 0.802 . . . . 0.0 110.616 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -72.24 -22.63 61.21 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.786 -1.196 . . . . 0.0 114.18 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -64.73 -22.93 67.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.653 0.781 . . . . 0.0 112.828 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.9 m -105.67 13.05 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.738 1.615 . . . . 0.0 113.35 168.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.74 29.88 30.99 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.967 1.27 . . . . 0.0 115.851 169.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.92 134.52 49.67 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 119.12 1.46 . . . . 0.0 111.434 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.59 -41.38 14.33 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -168.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -77.79 175.63 9.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.067 1.347 . . . . 0.0 114.228 -169.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -109.52 -23.79 11.32 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.142 1.777 . . . . 0.0 114.82 167.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 147.43 39.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.695 1.998 . . . . 0.0 106.326 169.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -140.15 151.36 45.22 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -75.49 155.42 36.2 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 165.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.49 -38.02 76.77 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.864 -1.147 . . . . 0.0 112.307 173.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -67.69 -37.21 81.98 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.72 -46.01 90.09 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.871 1.214 . . . . 0.0 112.805 172.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.0 -51.03 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 122.947 0.499 . . . . 0.0 110.263 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.4 mt -58.51 -43.81 89.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.187 0.595 . . . . 0.0 112.087 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -54.58 -56.63 16.93 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -63.03 -39.99 96.4 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.42 -41.48 98.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.941 0.896 . . . . 0.0 111.57 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.72 -42.93 99.82 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.843 0.735 . . . . 0.0 112.55 172.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.09 -34.08 74.37 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.623 1.212 . . . . 0.0 113.316 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -68.73 -49.24 60.38 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.882 0.765 . . . . 0.0 111.98 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.4 mt -57.84 -42.23 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.413 1.085 . . . . 0.0 110.952 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 33.2 ttm -59.99 -56.21 24.51 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.83 1.652 . . . . 0.0 111.868 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.23 -35.32 80.12 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -76.8 -12.18 59.94 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.382 1.473 . . . . 0.0 114.374 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 54.53 43.06 30.87 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.058 1.743 . . . . 0.0 113.68 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.9 mt -76.77 -13.19 60.04 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -66.72 147.35 53.37 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -65.45 130.99 45.27 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.446 -0.784 . . . . 0.0 112.548 169.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -59.99 -30.76 69.34 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.282 -0.886 . . . . 0.0 112.748 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -83.15 -64.64 1.13 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.397 1.079 . . . . 0.0 111.375 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -88.2 84.45 6.89 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.045 0.938 . . . . 0.0 110.474 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -60.02 -21.43 61.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.736 1.215 . . . . 0.0 113.203 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -87.37 5.36 39.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.806 1.643 . . . . 0.0 114.39 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.2 mt -121.77 127.11 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.249 1.386 . . . . 0.0 110.398 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.28 137.68 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.854 1.661 . . . . 0.0 110.204 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -123.2 125.84 45.85 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.492 1.917 . . . . 0.0 113.108 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 33.5 t -159.61 108.99 1.84 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.773 0.829 . . . . 0.0 109.637 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.8 p -120.2 148.4 43.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.197 1.399 . . . . 0.0 111.896 170.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 55.43 25.5 7.78 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.002 1.721 . . . . 0.0 115.231 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -142.65 167.12 22.84 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.758 1.623 . . . . 0.0 110.368 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.1 tp -50.1 -45.42 52.72 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.276 1.83 . . . . 0.0 115.686 -167.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.85 -32.39 69.39 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.351 -0.843 . . . . 0.0 113.077 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.67 -39.48 77.72 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.97 0.795 . . . . 0.0 112.348 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.67 -32.61 74.14 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.8 mt -69.2 -60.59 2.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.981 1.312 . . . . 0.0 111.902 169.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.289 41.3 m-85 -67.17 -23.18 65.74 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 118.011 2.597 . . . . 0.0 118.011 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.51 16.4 77.54 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 123.973 0.797 . . . . 0.0 114.38 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.71 151.25 65.63 Favored Pre-proline 0 N--CA 1.476 0.873 0 C-N-CA 126.16 1.784 . . . . 0.0 109.112 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.13 -22.86 25.41 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.567 2.845 . . . . 0.0 113.145 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.6 p -162.07 160.84 27.92 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.395 1.478 . . . . 0.0 112.042 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.61 153.26 31.1 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.595 0.758 . . . . 0.0 110.598 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -84.9 128.11 34.47 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.104 0.962 . . . . 0.0 111.765 170.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.19 -24.99 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.213 1.405 . . . . 0.0 112.607 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -69.27 -22.43 63.82 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.234 1.014 . . . . 0.0 113.116 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -80.61 64.11 5.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 124.251 1.976 . . . . 0.0 112.635 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -56.98 -45.42 82.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 112.128 -2.305 . . . . 0.0 111.372 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -54.38 -43.53 71.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.803 1.641 . . . . 0.0 113.516 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -70.39 -44.35 68.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.954 0.901 . . . . 0.0 110.849 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.55 -44.96 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.819 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -57.49 -45.61 84.68 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.268 1.5 t -67.13 -37.35 83.68 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 174.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.5 mtm -65.28 -42.93 92.66 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.172 -0.955 . . . . 0.0 112.319 172.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.55 -38.79 90.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.882 0.873 . . . . 0.0 112.165 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.5 -31.77 73.03 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.276 0.63 . . . . 0.0 112.531 173.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.7 t -69.57 -35.08 75.05 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.428 -0.795 . . . . 0.0 112.417 171.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 59.7 mtt -64.32 -28.4 69.68 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.6 -1.312 . . . . 0.0 114.272 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.429 HG21 HG21 ' A' ' 34' ' ' VAL 0.296 2.9 p . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 174.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 21.5 t80 . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -65.26 -31.79 73.12 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -173.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.9 -35.38 74.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.39 0.676 . . . . 0.0 112.461 175.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -74.42 -42.88 58.43 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -65.7 -30.97 71.73 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.137 0.975 . . . . 0.0 112.21 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.78 -31.34 70.7 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.978 -1.076 . . . . 0.0 112.879 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -65.03 -26.85 68.44 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.506 1.123 . . . . 0.0 113.109 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.6 -52.16 48.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.454 0.702 . . . . 0.0 111.879 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.0 ptp -69.77 -25.07 63.63 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.54 0.609 . . . . 0.0 112.004 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 CA--C 1.549 0.94 0 C-N-CA 125.702 1.601 . . . . 0.0 113.958 169.027 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -128.8 162.7 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 128.491 2.716 . . . . 0.0 112.466 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.7 mtm105 -109.05 89.04 6.19 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 124.579 1.152 . . . . 0.0 111.986 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -66.79 150.52 83.35 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.191 1.928 . . . . 0.0 112.632 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -65.04 153.72 88.33 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.318 1.047 . . . . 0.0 112.49 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -55.92 -34.09 90.81 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.157 2.571 . . . . 0.0 114.859 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 tp -65.91 -37.59 86.48 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.805 0.842 . . . . 0.0 112.501 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.418 HD22 ' HB3' ' A' ' 112' ' ' MET . 44.6 tp -72.46 -45.48 59.33 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.193 0.997 . . . . 0.0 110.661 172.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.5 tp -53.13 -43.21 66.77 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.333 0.653 . . . . 0.0 111.961 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -61.4 -40.14 93.28 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.666 0.787 . . . . 0.0 112.874 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 tt -64.88 -40.3 94.89 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.146 0.978 . . . . 0.0 111.812 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.4 mt -66.75 -43.24 84.63 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.854 0.861 . . . . 0.0 110.891 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -64.6 -22.01 66.86 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 173.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -64.65 -18.53 65.02 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.084 0.856 . . . . 0.0 113.138 171.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.8 m -113.19 16.86 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 126.037 1.735 . . . . 0.0 113.065 168.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.16 31.3 43.06 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.668 1.128 . . . . 0.0 115.61 170.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.36 76.87 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 118.924 1.362 . . . . 0.0 113.507 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 57.47 -21.8 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 169.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -66.78 159.62 27.61 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 121.193 1.815 . . . . 0.0 112.258 175.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -91.01 -6.08 54.47 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 169.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.23 148.35 28.79 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.629 1.972 . . . . 0.0 106.657 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -148.47 154.54 39.99 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -174.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -74.5 156.97 36.32 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.37 -0.831 . . . . 0.0 112.733 165.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mmt -57.23 -36.31 70.75 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.526 -1.359 . . . . 0.0 113.167 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -67.09 -39.47 86.79 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.513 172.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.39 -46.64 89.32 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.799 1.181 . . . . 0.0 112.903 172.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -60.05 -49.92 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.316 0.507 . . . . 0.0 110.356 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.18 -44.8 92.18 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.61 0.641 . . . . 0.0 112.147 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -55.52 -54.06 48.64 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -66.02 -38.3 88.06 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.53 -41.27 98.49 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.25 -0.906 . . . . 0.0 111.631 172.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.72 99.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 121.572 -0.705 . . . . 0.0 112.271 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -61.34 -35.65 78.0 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.319 1.06 . . . . 0.0 113.256 170.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -68.27 -49.14 62.55 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.808 0.731 . . . . 0.0 111.006 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.13 -40.94 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 111.287 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.1 ttm -62.24 -52.49 63.52 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.013 1.325 . . . . 0.0 112.253 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -69.42 -38.61 77.97 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -72.7 -14.84 61.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.254 1.422 . . . . 0.0 113.493 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 56.63 42.94 26.34 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.04 2.136 . . . . 0.0 113.033 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.3 mt -77.42 -9.19 58.72 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.699 1.2 . . . . 0.0 114.006 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -63.15 148.6 47.53 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 172.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.55 132.51 50.07 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 171.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -64.69 -27.78 69.15 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -80.79 -47.19 14.24 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.982 0.913 . . . . 0.0 110.905 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -130.44 100.32 5.31 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.97 1.308 . . . . 0.0 112.362 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.85 -13.89 62.51 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -176.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -75.18 -2.7 29.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.103 0.961 . . . . 0.0 113.481 171.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.6 mt -113.32 134.29 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.727 1.611 . . . . 0.0 109.796 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -109.95 133.64 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.741 1.616 . . . . 0.0 112.541 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.289 52.2 m-85 -106.81 69.7 0.78 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.83 2.052 . . . . 0.0 115.645 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.5 p -69.94 -3.35 15.63 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.0 t -46.97 131.59 12.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.926 1.69 . . . . 0.0 114.252 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 59.8 -0.02 0.23 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -86.37 170.5 11.96 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.114 1.366 . . . . 0.0 111.475 172.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.7 tp -51.42 -44.49 62.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.402 1.081 . . . . 0.0 111.282 169.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.02 -32.99 73.53 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.14 -31.16 75.81 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 123.808 0.718 . . . . 0.0 113.45 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -73.37 -29.13 62.43 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 171.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.82 -55.96 5.56 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.855 0.862 . . . . 0.0 112.206 171.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.304 26.4 m-85 -68.79 -26.55 65.25 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 117.591 2.441 . . . . 0.0 117.591 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.73 18.55 78.81 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.181 0.896 . . . . 0.0 114.693 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 m -141.53 155.27 67.14 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 125.896 1.678 . . . . 0.0 109.78 -176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.83 -28.29 16.86 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.063 2.509 . . . . 0.0 113.207 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.5 p -163.11 161.86 25.4 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.767 1.227 . . . . 0.0 112.558 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -156.43 160.0 39.2 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.509 1.124 . . . . 0.0 109.388 173.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -95.24 131.11 41.65 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.813 0.845 . . . . 0.0 111.171 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.61 -23.47 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.404 1.081 . . . . 0.0 112.603 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -63.94 -21.81 66.64 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.407 1.483 . . . . 0.0 113.753 172.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -78.38 49.35 0.84 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.109 1.764 . . . . 0.0 111.762 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -52.31 -45.09 65.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.545 1.138 . . . . 0.0 113.347 -169.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.5 ttp-105 -59.88 -42.1 93.02 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.106 0.963 . . . . 0.0 112.818 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -68.55 -44.53 74.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.87 0.868 . . . . 0.0 110.944 174.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.53 -45.12 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.733 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -58.21 -43.53 87.71 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.301 1.0 OUTLIER -68.46 -34.24 75.6 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 173.266 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.9 mtm -68.44 -37.28 80.11 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.111 -0.993 . . . . 0.0 112.687 170.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 98.2 mmm -66.89 -39.78 87.57 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.412 1.085 . . . . 0.0 111.772 173.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.02 -34.91 75.58 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.645 -0.659 . . . . 0.0 111.909 171.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.9 m -68.95 -0.29 5.42 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 171.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.418 ' HB3' HD22 ' A' ' 40' ' ' LEU . 35.4 mtt -102.66 -2.68 27.86 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.981 1.312 . . . . 0.0 113.399 169.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.253 1.1 p . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -66.26 -25.41 66.86 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -64.75 -42.75 94.94 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.209 -0.932 . . . . 0.0 111.208 172.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -66.77 -33.61 76.0 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -75.35 -37.77 60.49 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.985 -0.447 . . . . 0.0 111.502 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 28.2 tp -60.63 -31.29 70.49 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.615 -1.303 . . . . 0.0 112.284 174.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -66.05 -25.16 66.91 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.245 1.418 . . . . 0.0 113.952 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.5 mt -63.22 -55.77 22.2 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.678 0.672 . . . . 0.0 110.869 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.46 -29.34 64.74 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 . . . . . 0 CA--C 1.545 0.752 0 C-N-CA 124.02 0.928 . . . . 0.0 112.063 173.842 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.542 0.648 0 CA-C-O 120.865 0.364 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.92 -24.08 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -173.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 47.29 72.36 1.29 Allowed Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 127.242 2.217 . . . . 0.0 112.506 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.94 167.12 26.89 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.068 2.512 . . . . 0.0 113.301 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -55.26 148.23 32.35 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.119 0.967 . . . . 0.0 112.246 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -60.45 -30.51 90.98 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.857 2.372 . . . . 0.0 112.745 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.71 -40.94 94.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.49 1.116 . . . . 0.0 112.438 174.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -75.71 -44.93 39.56 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.43 0.692 . . . . 0.0 111.526 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD11 ' HE3' ' A' ' 45' ' ' LYS . 45.5 tp -55.67 -39.55 71.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.597 0.759 . . . . 0.0 112.154 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.1 -39.86 83.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.118 0.967 . . . . 0.0 112.91 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.26 -45.6 92.58 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.624 0.77 . . . . 0.0 111.159 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.09 -43.86 91.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.707 0.685 . . . . 0.0 111.032 174.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.457 ' HE3' HD11 ' A' ' 41' ' ' LEU . 82.4 mttt -65.92 -26.53 67.64 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 176.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -65.23 -25.9 67.89 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.307 0.958 . . . . 0.0 112.307 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 m -101.15 16.58 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.429 1.492 . . . . 0.0 112.94 169.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.82 30.64 25.87 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 116.591 1.396 . . . . 0.0 116.591 168.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.23 126.2 28.98 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 119.557 1.679 . . . . 0.0 110.645 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -81.29 -39.95 24.44 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -168.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -78.63 172.82 13.14 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.606 1.962 . . . . 0.0 113.179 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -103.64 -2.56 26.41 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -143.56 146.67 33.5 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.924 1.69 . . . . 0.0 107.286 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -144.39 154.77 43.33 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.455 1.502 . . . . 0.0 114.228 -171.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.34 166.19 23.79 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 168.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mmt -54.66 -46.11 73.96 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.312 -0.867 . . . . 0.0 112.666 172.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.59 -39.41 88.4 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.926 0.891 . . . . 0.0 112.031 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.05 -43.83 91.03 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.61 -48.57 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.544 0.738 . . . . 0.0 109.443 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.8 -44.95 86.67 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.741 0.701 . . . . 0.0 111.248 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.26 31.1 t80 -53.57 -60.55 3.16 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 173.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -60.23 -41.51 93.27 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.91 -45.77 90.94 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.417 1.087 . . . . 0.0 111.526 176.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.19 -42.5 96.36 Favored Glycine 0 CA--C 1.527 0.798 0 O-C-N 121.742 -0.599 . . . . 0.0 113.393 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -61.58 -35.32 77.48 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.364 1.082 . . . . 0.0 112.061 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -62.82 -53.28 56.71 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 169.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.8 mt -59.74 -39.7 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.904 0.882 . . . . 0.0 111.142 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.3 ttm -62.48 -56.01 22.19 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.723 1.209 . . . . 0.0 111.632 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . 0.256 1.3 t -67.77 -36.67 80.92 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -72.96 -9.21 58.48 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.678 1.191 . . . . 0.0 113.669 170.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 56.08 42.8 27.94 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.518 1.927 . . . . 0.0 113.051 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.85 -7.8 57.17 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.936 1.294 . . . . 0.0 113.953 -173.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -69.9 152.42 44.52 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 172.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -62.01 133.63 55.59 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.332 -0.855 . . . . 0.0 113.09 169.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -57.84 -30.68 65.97 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.048 0.939 . . . . 0.0 112.417 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -88.29 -61.9 1.61 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.357 1.463 . . . . 0.0 110.447 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -87.42 79.47 8.41 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.969 1.308 . . . . 0.0 110.367 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -73.91 34.12 0.09 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.384 1.474 . . . . 0.0 113.44 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -143.27 5.69 1.47 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 128.066 2.546 . . . . 0.0 112.116 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.0 mt -121.04 127.8 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.221 1.408 . . . . 0.0 109.441 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -96.69 139.08 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.243 1.817 . . . . 0.0 112.998 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -128.9 125.56 37.85 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.154 1.782 . . . . 0.0 113.453 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -159.21 101.68 1.58 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.218 1.007 . . . . 0.0 110.426 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.6 p -105.24 142.22 35.4 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.912 1.285 . . . . 0.0 111.677 171.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.47 9.53 0.79 Allowed 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.26 31.7 m-20 -120.75 170.23 9.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.229 2.212 . . . . 0.0 115.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.2 tp -52.66 -41.32 63.71 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -168.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.8 tp -68.83 -38.12 79.62 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.417 1.008 . . . . 0.0 112.601 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.24 -37.77 86.92 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 123.629 0.633 . . . . 0.0 112.491 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.06 -32.31 73.81 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 172.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.7 mt -71.35 -62.12 1.52 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.991 1.316 . . . . 0.0 112.077 171.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.284 55.7 m-85 -68.81 -19.04 64.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.89 16.7 80.49 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.41 1.005 . . . . 0.0 114.395 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.18 151.58 55.73 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 125.984 1.714 . . . . 0.0 109.567 -177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.53 -21.41 25.9 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.651 2.901 . . . . 0.0 113.212 175.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -161.02 158.15 27.42 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.246 1.418 . . . . 0.0 112.177 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -156.32 155.5 32.37 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.102 0.961 . . . . 0.0 109.696 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.1 t -97.48 133.64 41.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.846 0.858 . . . . 0.0 112.921 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . 0.26 1.3 t -77.07 -2.4 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.325 1.45 . . . . 0.0 114.439 170.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.43 -31.97 73.35 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.604 1.161 . . . . 0.0 112.405 170.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -111.39 81.35 1.43 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.879 1.272 . . . . 0.0 111.934 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -53.35 -37.12 62.06 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.268 1.027 . . . . 0.0 113.003 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -56.6 -39.24 73.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.679 1.591 . . . . 0.0 113.25 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -67.95 -44.49 76.64 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.911 0.885 . . . . 0.0 111.565 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.77 -46.6 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 118.46 -0.781 . . . . 0.0 111.127 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -57.64 -44.77 85.85 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.661 1.119 . . . . 0.0 112.909 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.275 1.1 t -66.22 -40.1 90.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 177.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 76.0 mtm -68.08 -40.18 82.75 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.581 -0.699 . . . . 0.0 112.508 173.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -76.64 -28.58 56.1 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.76 0.824 . . . . 0.0 111.862 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.0 -29.14 70.04 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.225 -0.922 . . . . 0.0 112.815 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.7 t -62.22 -24.92 67.51 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.21 -0.931 . . . . 0.0 112.32 173.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 36.9 mtt -79.17 -1.12 34.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.944 1.298 . . . . 0.0 113.446 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.345 0.9 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -176.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -65.32 -32.02 73.45 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.464 0.705 . . . . 0.0 112.864 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.51 -40.49 87.28 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.422 1.01 . . . . 0.0 112.952 171.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -66.54 -41.94 87.93 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 168.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -70.58 -32.14 69.42 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.729 0.812 . . . . 0.0 112.094 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 21.3 tp -65.31 -31.58 72.79 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.715 -1.241 . . . . 0.0 112.476 176.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -63.3 -31.04 72.09 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.186 0.994 . . . . 0.0 112.313 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.98 -58.45 8.61 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.231 0.612 . . . . 0.0 111.163 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.7 ptp -70.53 -29.36 65.81 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 . . . . . 0 CA--C 1.542 0.65 0 C-N-CA 123.966 0.906 . . . . 0.0 112.593 178.268 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 121.852 0.834 . . . . 0.0 113.058 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -126.11 161.69 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 127.999 2.52 . . . . 0.0 111.385 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -104.64 92.99 5.49 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 123.766 0.826 . . . . 0.0 110.689 171.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -65.41 155.88 66.34 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.215 1.943 . . . . 0.0 112.011 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -54.88 150.56 18.56 Favored Pre-proline 0 N--CA 1.478 0.93 0 C-N-CA 123.996 0.918 . . . . 0.0 112.047 171.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -59.5 -32.54 96.44 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.606 2.204 . . . . 0.0 112.832 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.2 tp -62.24 -40.64 96.83 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.492 1.117 . . . . 0.0 112.417 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.2 tp -73.97 -45.83 47.65 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.905 0.882 . . . . 0.0 111.435 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.4 HD11 ' HE3' ' A' ' 45' ' ' LYS . 40.7 tp -55.92 -39.66 71.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.214 1.006 . . . . 0.0 112.087 177.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -60.34 -37.9 82.11 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.996 0.918 . . . . 0.0 112.931 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.85 -45.59 93.13 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 0.0 111.108 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.28 -41.42 96.91 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.544 0.611 . . . . 0.0 111.266 175.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HE3' HD11 ' A' ' 41' ' ' LEU . 71.6 mttt -65.78 -27.05 68.0 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 175.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 p -65.13 -25.04 67.59 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.357 0.98 . . . . 0.0 112.48 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.8 m -102.24 14.83 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.728 1.611 . . . . 0.0 113.039 169.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.54 28.15 25.26 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 116.865 1.506 . . . . 0.0 116.865 168.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.67 121.79 19.46 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 119.758 1.779 . . . . 0.0 110.233 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -79.63 -37.84 35.13 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 -167.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -91.12 -177.04 4.79 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.579 1.952 . . . . 0.0 113.87 -174.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.8 p30 -115.8 2.2 13.57 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.686 1.994 . . . . 0.0 115.444 -174.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.46 141.18 24.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 -174.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -147.82 151.64 36.32 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -73.59 158.41 34.86 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.614 1.097 . . . . 0.0 113.208 167.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.3 mmt -56.47 -38.24 71.43 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.83 -1.169 . . . . 0.0 113.065 173.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -66.48 -38.99 88.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.328 0.651 . . . . 0.0 112.592 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.22 -45.48 88.07 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.333 0.97 . . . . 0.0 112.739 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.29 -48.35 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.422 0.689 . . . . 0.0 110.592 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.67 -45.8 88.6 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.421 0.688 . . . . 0.0 111.553 174.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -52.37 -56.6 13.84 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -60.22 -40.08 88.92 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.05 -43.59 87.04 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.014 0.925 . . . . 0.0 112.343 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.23 98.93 Favored Glycine 0 CA--C 1.532 1.121 0 O-C-N 121.222 -0.924 . . . . 0.0 112.634 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -62.77 -34.79 77.97 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.955 -0.733 . . . . 0.0 112.461 172.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.46 -50.17 70.77 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 172.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.7 mt -58.81 -40.53 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.432 1.093 . . . . 0.0 111.337 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.5 mtm -64.57 -51.89 60.47 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -65.65 -34.83 79.13 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -77.53 -15.34 59.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.842 1.657 . . . . 0.0 114.507 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 54.64 43.85 29.53 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 126.225 1.81 . . . . 0.0 113.726 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.0 mt -74.87 -13.69 60.58 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.293 2.0 p90 -66.56 153.13 43.81 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.18 130.0 43.39 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.155 0.582 . . . . 0.0 112.518 168.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -59.16 -30.52 68.23 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.144 -0.973 . . . . 0.0 112.682 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -85.99 -45.9 11.03 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.971 1.309 . . . . 0.0 111.54 -175.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -120.96 89.5 3.14 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.472 1.509 . . . . 0.0 111.006 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -69.84 -9.93 56.58 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -172.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -78.71 -5.11 52.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.184 0.994 . . . . 0.0 113.399 169.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.7 mt -107.03 130.02 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.771 1.628 . . . . 0.0 110.224 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.1 t -102.03 128.92 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.068 1.747 . . . . 0.0 112.561 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.277 56.4 m-85 -104.88 68.74 0.84 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.739 2.016 . . . . 0.0 114.731 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.0 p -71.93 2.1 6.13 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -174.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 81.9 p -53.32 145.92 13.19 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.994 1.318 . . . . 0.0 113.815 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 58.47 16.01 3.91 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.197 1.799 . . . . 0.0 115.568 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -120.49 165.0 15.57 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.549 1.539 . . . . 0.0 112.861 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.1 tp -48.95 -38.11 22.06 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.226 1.41 . . . . 0.0 112.361 169.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.9 tp -70.56 -34.29 72.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.5 -37.46 94.47 Favored Glycine 0 CA--C 1.533 1.197 0 O-C-N 121.435 -0.791 . . . . 0.0 112.34 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.94 -29.99 70.49 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.39 -59.11 2.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.88 1.272 . . . . 0.0 112.114 171.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.263 27.0 m-85 -68.04 -23.89 65.03 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 117.754 2.502 . . . . 0.0 117.754 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.72 19.19 79.71 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 123.997 0.808 . . . . 0.0 114.54 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.6 m -139.79 155.22 71.36 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 126.187 1.795 . . . . 0.0 109.522 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.35 -25.92 17.87 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.283 2.655 . . . . 0.0 113.276 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.6 p -161.82 160.2 27.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.641 1.176 . . . . 0.0 113.0 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -158.06 162.88 38.12 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.46 1.504 . . . . 0.0 107.427 173.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.0 t -104.89 134.8 47.4 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.139 -0.976 . . . . 0.0 111.877 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.6 t -60.03 -26.01 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.736 0.814 . . . . 0.0 112.767 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -64.15 -20.43 65.99 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.424 1.89 . . . . 0.0 113.333 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -78.8 50.21 0.98 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.093 1.757 . . . . 0.0 112.066 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -51.92 -46.36 64.62 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.762 1.225 . . . . 0.0 114.24 -169.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -39.79 93.97 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.64 1.176 . . . . 0.0 112.933 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -67.59 -45.7 74.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.532 1.533 . . . . 0.0 111.376 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.26 -44.58 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 118.946 -0.549 . . . . 0.0 111.107 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -56.17 -47.89 77.39 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.279 1.2 t -67.05 -36.23 81.59 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 61.1 mtm -66.33 -42.69 87.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.46 -0.775 . . . . 0.0 112.353 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.2 mmm -63.48 -39.65 95.01 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.925 0.89 . . . . 0.0 111.992 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.78 80.79 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.447 0.699 . . . . 0.0 112.772 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.0 p -65.78 -18.78 65.57 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 39.2 mtt -85.99 -4.45 59.17 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.544 1.138 . . . . 0.0 113.703 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.324 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 116.728 2.122 . . . . 0.0 116.728 -177.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 25.5 t80 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 116.118 1.895 . . . . 0.0 116.118 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -68.94 -26.71 65.2 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -61.92 -49.06 77.68 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.198 0.908 . . . . 0.0 111.466 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -59.53 -41.11 89.28 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 169.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -67.03 -39.34 86.99 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.015 0.526 . . . . 0.0 111.13 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.5 -29.19 66.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.816 -1.178 . . . . 0.0 112.861 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 31.3 mmt-85 -68.74 -26.12 65.09 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.875 0.761 . . . . 0.0 113.026 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.66 -47.67 65.94 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.629 0.65 . . . . 0.0 110.219 168.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.9 mtm -74.82 -27.58 60.35 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.372 0.669 . . . . 0.0 112.481 -170.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 . . . . . 0 CA--C 1.545 0.783 0 C-N-CA 124.612 1.165 . . . . 0.0 112.216 169.834 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.87 -20.99 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -171.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 48.73 82.21 0.24 Allowed Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 127.768 2.427 . . . . 0.0 113.125 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -65.56 161.04 40.2 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.435 2.09 . . . . 0.0 112.693 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -56.84 148.62 47.48 Favored Pre-proline 0 N--CA 1.479 0.994 0 C-N-CA 123.899 0.879 . . . . 0.0 112.289 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -55.88 -34.22 90.94 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.15 2.567 . . . . 0.0 114.477 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.32 -39.71 94.45 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.802 0.841 . . . . 0.0 112.351 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.0 tp -72.27 -44.25 63.07 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.619 0.767 . . . . 0.0 111.12 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.3 tp -53.91 -42.05 68.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.225 0.61 . . . . 0.0 111.549 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -62.3 -34.59 76.87 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.47 -38.3 89.28 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.681 -0.637 . . . . 0.0 111.023 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.64 -40.99 88.95 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.58 -0.7 . . . . 0.0 111.516 169.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -59.34 -32.35 70.01 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.435 -1.415 . . . . 0.0 112.887 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.1 m -64.87 -15.16 61.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.656 1.183 . . . . 0.0 113.638 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -117.87 21.92 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.258 1.823 . . . . 0.0 112.496 170.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.2 22.82 58.33 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 116.673 1.429 . . . . 0.0 116.673 169.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.68 120.53 10.8 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.03 1.415 . . . . 0.0 112.375 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -80.67 -47.4 14.1 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -169.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -72.2 171.99 11.04 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.844 1.658 . . . . 0.0 112.684 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -111.38 3.87 18.54 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.549 1.94 . . . . 0.0 115.591 169.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -143.19 141.88 31.27 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.748 2.019 . . . . 0.0 106.772 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -148.72 159.3 44.26 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -169.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -78.54 162.03 26.61 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 165.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.2 mmm -54.18 -42.04 69.22 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.742 -1.224 . . . . 0.0 112.747 172.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -68.26 -37.34 80.65 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.422 0.689 . . . . 0.0 112.441 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -65.48 -43.13 91.2 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.878 0.763 . . . . 0.0 113.015 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.16 -49.02 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.066 0.546 . . . . 0.0 110.577 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.49 -42.55 82.93 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.693 174.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -53.56 -57.95 8.91 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -59.63 -40.8 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.54 -44.01 95.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.347 1.059 . . . . 0.0 111.845 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.79 98.49 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.752 0.691 . . . . 0.0 112.67 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -63.33 -30.74 71.82 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.039 0.92 . . . . 0.0 112.76 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -69.33 -48.79 60.42 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.412 -0.805 . . . . 0.0 112.79 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.86 -42.26 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.841 1.256 . . . . 0.0 110.85 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 50.2 ttm -63.3 -56.32 17.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.368 1.467 . . . . 0.0 112.274 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -64.55 -34.12 77.5 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.17 1.545 . . . . 0.0 115.17 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -78.77 -10.48 59.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.689 1.595 . . . . 0.0 113.89 172.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 51.93 45.31 28.47 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 127.635 2.374 . . . . 0.0 113.558 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.2 mt -77.53 -7.63 56.57 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -63.76 146.5 53.78 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 170.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.88 134.02 52.16 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.63 -27.68 67.88 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -79.21 -46.72 17.31 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.647 0.779 . . . . 0.0 110.812 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -131.82 102.34 5.82 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.954 1.302 . . . . 0.0 112.58 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -66.83 -13.9 62.08 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -74.46 -0.14 16.5 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 170.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.0 mt -120.04 140.49 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.178 1.791 . . . . 0.0 109.66 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.4 t -119.56 139.78 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.088 1.755 . . . . 0.0 110.39 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -124.45 128.3 48.8 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.936 2.094 . . . . 0.0 114.267 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.1 t -160.38 108.92 1.67 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.083 0.953 . . . . 0.0 109.832 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 76.8 p -118.56 147.06 44.09 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.532 1.533 . . . . 0.0 111.95 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.267 0.8 OUTLIER 48.4 32.38 3.25 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 127.062 2.145 . . . . 0.0 115.72 -178.238 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -144.37 167.8 21.6 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.618 1.567 . . . . 0.0 109.65 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.4 tp -49.22 -51.91 30.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.101 1.76 . . . . 0.0 115.201 -167.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.78 -35.82 81.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.311 0.96 . . . . 0.0 113.134 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.77 -34.57 83.35 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.955 0.788 . . . . 0.0 112.779 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.13 -34.02 76.69 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 172.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.94 -57.86 5.51 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.663 0.785 . . . . 0.0 111.556 169.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.302 42.7 m-85 -67.44 -23.37 65.51 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 118.081 2.623 . . . . 0.0 118.081 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.13 16.74 76.94 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.063 0.839 . . . . 0.0 114.409 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.79 151.68 63.63 Favored Pre-proline 0 N--CA 1.475 0.803 0 C-N-CA 126.115 1.766 . . . . 0.0 109.413 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -71.13 -21.85 26.71 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.642 2.895 . . . . 0.0 113.235 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -162.4 160.38 26.38 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.282 1.433 . . . . 0.0 112.34 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -154.55 158.16 39.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.885 0.874 . . . . 0.0 110.723 172.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.0 t -91.94 125.18 36.54 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.03 0.932 . . . . 0.0 111.625 171.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.29 -30.24 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.352 1.461 . . . . 0.0 112.632 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.31 -25.71 67.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.624 1.97 . . . . 0.0 113.305 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.65 62.1 3.83 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.15 1.38 . . . . 0.0 111.534 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -55.47 -43.98 76.01 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -169.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -60.9 -39.58 89.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.818 0.847 . . . . 0.0 113.132 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -67.49 -40.1 85.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.26 1.024 . . . . 0.0 111.405 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.23 -46.04 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.143 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -56.77 -43.45 80.85 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.278 1.2 t -66.95 -36.9 83.26 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.13 -39.64 90.02 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.247 -0.908 . . . . 0.0 112.456 171.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.3 mmm -67.34 -41.36 85.31 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.03 0.932 . . . . 0.0 111.915 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.19 -34.13 74.57 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.334 0.654 . . . . 0.0 111.904 173.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.7 m -67.79 -9.33 43.29 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.4 mtt -102.18 4.18 39.16 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.644 1.578 . . . . 0.0 113.74 172.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.363 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 21.4 t80 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -65.65 -32.54 74.17 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.32 -26.19 68.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.879 0.872 . . . . 0.0 112.474 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -83.54 -43.55 15.61 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 166.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -64.41 -32.99 74.84 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.258 1.023 . . . . 0.0 112.394 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 24.8 tp -56.86 -31.32 64.69 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.312 1.045 . . . . 0.0 112.691 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -72.63 -19.16 61.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.316 1.046 . . . . 0.0 112.186 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.54 -50.36 38.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.684 0.793 . . . . 0.0 111.766 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.7 ptp -70.9 -30.03 66.26 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.804 -0.56 . . . . 0.0 111.537 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 CA--C 1.549 0.942 0 C-N-CA 125.695 1.598 . . . . 0.0 112.79 169.218 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 121.423 0.63 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 m -132.95 163.66 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.57 2.348 . . . . 0.0 112.831 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -100.57 92.04 2.08 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 124.537 1.135 . . . . 0.0 111.085 169.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.98 153.35 76.41 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 121.87 1.713 . . . . 0.0 112.293 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 51.8 mtmt -59.03 151.56 55.51 Favored Pre-proline 0 N--CA 1.476 0.872 0 C-N-CA 124.285 1.034 . . . . 0.0 112.231 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.73 -35.26 93.01 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.029 2.486 . . . . 0.0 113.96 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.33 -38.77 90.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.431 1.092 . . . . 0.0 112.277 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 112' ' ' MET . 60.5 tp -74.93 -44.54 47.99 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.397 0.679 . . . . 0.0 111.402 174.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.6 tp -55.01 -38.87 68.44 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.805 0.842 . . . . 0.0 111.87 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -59.06 -40.57 85.56 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.995 0.918 . . . . 0.0 113.134 170.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -66.07 -45.19 82.19 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.066 0.947 . . . . 0.0 111.99 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.93 -43.14 91.11 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.393 0.677 . . . . 0.0 110.51 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -72.24 -24.34 61.36 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.776 1.23 . . . . 0.0 114.199 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.9 m -64.63 -23.3 67.22 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.706 0.803 . . . . 0.0 112.606 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 m -105.09 14.41 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.809 1.644 . . . . 0.0 113.418 168.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.61 28.13 36.63 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.169 1.366 . . . . 0.0 116.148 168.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 132.53 44.48 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.181 1.49 . . . . 0.0 111.202 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -88.27 -32.58 18.42 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -84.8 171.63 12.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.621 1.568 . . . . 0.0 114.377 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -108.47 4.83 24.67 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.499 1.919 . . . . 0.0 113.824 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.98 142.34 28.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.072 2.149 . . . . 0.0 106.378 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -144.03 152.56 41.17 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.25 1.0 OUTLIER -77.01 158.79 30.37 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 166.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.9 mmm -60.74 -34.11 73.94 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.883 -1.136 . . . . 0.0 112.493 174.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -67.99 -41.95 81.51 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.851 0.861 . . . . 0.0 111.917 172.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.88 -41.99 99.61 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.862 0.755 . . . . 0.0 112.778 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.405 HG13 HD21 ' A' ' 40' ' ' LEU . 55.0 t -61.94 -49.98 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.294 175.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.28 -45.21 88.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.394 0.997 . . . . 0.0 111.347 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -54.39 -56.89 14.09 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -64.76 -36.86 85.68 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 175.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.79 -42.91 97.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.238 1.015 . . . . 0.0 111.368 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.07 -43.31 98.96 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 123.752 0.691 . . . . 0.0 112.905 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.35 -33.86 73.02 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.7 1.25 . . . . 0.0 113.177 173.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -67.86 -49.49 61.81 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 173.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.56 -40.57 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.202 1.001 . . . . 0.0 111.08 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 31.8 ttm -61.81 -57.9 10.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.93 1.692 . . . . 0.0 111.986 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -63.41 -32.0 73.31 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -80.18 -15.7 56.48 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.834 1.654 . . . . 0.0 114.336 173.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 51.55 48.88 22.05 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.872 2.069 . . . . 0.0 113.484 -174.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.2 mt -75.44 -7.71 54.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -65.87 150.16 49.04 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.13 149.46 49.58 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -72.18 -38.76 69.03 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.844 -1.16 . . . . 0.0 112.62 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -87.56 -31.61 19.8 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.396 1.478 . . . . 0.0 114.466 -172.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -130.53 89.53 2.79 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.127 1.371 . . . . 0.0 108.89 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -70.61 -4.98 25.97 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -168.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -84.21 -8.41 59.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.844 1.258 . . . . 0.0 113.159 168.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.3 mt -96.53 138.94 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 120.138 1.335 . . . . 0.0 109.748 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 t -121.81 134.17 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.27 1.828 . . . . 0.0 112.453 -176.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -125.41 124.05 40.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.84 2.056 . . . . 0.0 114.3 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.0 t -156.67 48.69 0.46 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.652 0.739 . . . . 0.0 111.907 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.4 p -59.88 136.32 57.97 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.96 -1.088 . . . . 0.0 112.333 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 56.6 21.79 6.08 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.231 1.813 . . . . 0.0 115.835 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -132.96 167.66 19.87 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.975 1.31 . . . . 0.0 112.114 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.0 tp -47.62 -40.79 20.44 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -166.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.61 -40.83 84.68 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.807 1.185 . . . . 0.0 112.297 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.84 -33.86 66.08 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.391 0.52 . . . . 0.0 112.428 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.07 -34.37 77.89 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.9 mt -70.46 -57.42 4.81 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.725 1.21 . . . . 0.0 112.149 170.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.28 46.1 m-85 -68.21 -19.69 64.78 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 -178.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.9 16.87 80.37 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.404 1.002 . . . . 0.0 114.249 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 m -143.57 151.22 53.42 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.967 1.707 . . . . 0.0 109.485 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.1 -25.15 22.86 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.396 2.731 . . . . 0.0 113.189 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.4 p -158.17 159.78 36.51 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.207 1.403 . . . . 0.0 112.601 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -157.79 171.18 20.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.194 1.397 . . . . 0.0 107.749 174.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.6 t -118.04 132.16 56.39 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.365 -0.834 . . . . 0.0 112.257 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.9 t -58.13 -22.43 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.541 1.536 . . . . 0.0 113.339 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -60.89 -22.75 64.62 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.251 1.421 . . . . 0.0 113.026 171.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -84.37 -1.13 54.99 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -170.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 35.08 -85.66 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.432 2.693 . . . . 0.0 116.249 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.2 mtm-85 -47.37 -41.72 20.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.031 1.732 . . . . 0.0 114.183 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -64.28 -41.1 97.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.312 0.645 . . . . 0.0 111.014 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.02 -46.14 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.516 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -60.79 -43.31 98.26 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.805 1.184 . . . . 0.0 110.942 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.287 1.0 OUTLIER -68.41 -37.25 80.15 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 177.646 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.8 mtm -67.91 -45.13 75.28 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.409 -0.807 . . . . 0.0 112.105 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -72.09 -20.86 61.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.933 0.893 . . . . 0.0 112.246 -173.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.26 69.03 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.564 -0.71 . . . . 0.0 112.889 170.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.2 p -67.81 -15.93 63.86 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.932 -1.105 . . . . 0.0 113.181 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.637 ' HB3' HD22 ' A' ' 40' ' ' LEU . 47.1 mtt -80.06 -8.62 59.48 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.785 -1.197 . . . . 0.0 112.869 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -179.548 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 15.0 t80 . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -65.85 -26.29 67.59 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -65.12 -41.62 94.69 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.507 1.049 . . . . 0.0 111.119 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -63.81 -43.1 97.28 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 170.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -69.14 -42.18 76.34 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.354 0.662 . . . . 0.0 111.557 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.14 -34.19 68.16 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.848 1.259 . . . . 0.0 112.79 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.46 -37.84 82.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.83 1.252 . . . . 0.0 111.762 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.49 -46.27 86.91 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.942 1.297 . . . . 0.0 111.572 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.7 mtm -74.45 -34.85 63.29 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.525 0.73 . . . . 0.0 111.485 -172.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 124.969 1.308 . . . . 0.0 113.572 171.936 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt . . . . . 0 CA--C 1.543 0.707 0 CA-C-O 120.824 0.345 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.64 -20.68 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -174.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 51.7 70.33 2.0 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 127.018 2.127 . . . . 0.0 113.219 -169.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.479 ' CB ' HD23 ' A' ' 40' ' ' LEU . 36.4 Cg_endo -71.51 163.99 37.19 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.092 2.528 . . . . 0.0 113.926 -173.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -58.15 150.07 53.92 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 124.625 1.17 . . . . 0.0 112.524 176.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -61.46 -31.29 87.86 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.674 2.249 . . . . 0.0 112.62 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.67 -40.53 95.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.663 1.185 . . . . 0.0 112.47 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 112' ' ' MET . 57.3 tp -70.79 -48.31 54.9 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.879 0.872 . . . . 0.0 111.282 173.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.6 tp -53.89 -39.53 65.84 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.038 0.935 . . . . 0.0 112.135 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.89 -41.24 82.16 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.213 1.005 . . . . 0.0 112.99 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tt -65.09 -43.43 92.14 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.048 0.939 . . . . 0.0 111.707 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.62 -42.56 99.66 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.678 0.672 . . . . 0.0 111.291 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -73.84 -21.13 60.23 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.418 1.087 . . . . 0.0 113.832 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 m -65.0 -21.44 66.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.662 0.785 . . . . 0.0 112.445 168.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 m -108.04 19.35 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.689 1.596 . . . . 0.0 113.74 169.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.1 23.62 47.97 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 116.898 1.519 . . . . 0.0 116.898 168.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.55 133.91 56.26 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 119.106 1.453 . . . . 0.0 111.851 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -85.74 -52.21 5.93 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.236 -0.915 . . . . 0.0 113.379 -170.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.53 171.14 15.04 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.69 1.996 . . . . 0.0 112.849 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -99.43 -3.19 34.27 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -138.02 145.15 41.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.201 1.401 . . . . 0.0 108.415 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -147.39 161.58 40.73 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.926 1.69 . . . . 0.0 115.094 -172.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -83.87 166.03 18.25 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.269 1.428 . . . . 0.0 114.005 168.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.4 mmt -54.54 -43.13 71.68 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.497 1.044 . . . . 0.0 112.647 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -60.57 -48.33 82.23 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.644 1.178 . . . . 0.0 111.516 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.59 -40.02 84.82 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.47 HG11 HD21 ' A' ' 40' ' ' LEU . 97.8 t -62.59 -49.3 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.34 0.518 . . . . 0.0 110.042 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.28 -42.2 90.71 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.639 0.654 . . . . 0.0 110.993 176.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -53.99 -58.71 6.29 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -58.76 -39.43 80.97 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.1 tp -65.74 -44.54 85.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.48 1.112 . . . . 0.0 111.896 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.19 98.05 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 123.65 0.643 . . . . 0.0 112.772 174.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -63.36 -32.15 73.49 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.144 0.972 . . . . 0.0 112.513 172.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -65.81 -49.47 68.15 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 169.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.6 mt -60.39 -38.1 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.389 1.076 . . . . 0.0 111.272 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.0 ttm -62.86 -57.48 10.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.298 1.439 . . . . 0.0 111.958 173.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -67.38 -35.45 79.35 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -80.76 -10.24 59.74 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.836 1.254 . . . . 0.0 113.55 170.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 54.8 46.5 24.4 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.3 2.64 . . . . 0.0 113.045 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.1 mt -78.64 -6.29 55.29 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -74.43 151.76 39.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 174.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -67.03 129.8 41.07 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.693 -1.254 . . . . 0.0 112.322 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -61.35 -29.06 69.66 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.202 -0.936 . . . . 0.0 112.835 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -81.59 -68.08 0.72 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.603 1.161 . . . . 0.0 111.206 172.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -83.76 81.43 8.76 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.23 1.012 . . . . 0.0 110.951 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -58.6 -23.67 59.29 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.777 1.231 . . . . 0.0 112.848 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -84.2 5.93 24.58 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.678 1.591 . . . . 0.0 114.447 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.8 mt -126.12 130.98 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 120.075 1.307 . . . . 0.0 110.447 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 p -105.63 139.87 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.434 1.493 . . . . 0.0 111.501 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.322 70.7 m-85 -110.5 59.95 0.61 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.661 1.984 . . . . 0.0 116.136 -172.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.8 p -67.72 48.61 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.589 2.355 . . . . 0.0 115.688 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -85.47 124.21 31.8 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.562 -1.336 . . . . 0.0 111.92 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 54.8 26.37 7.62 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.134 1.774 . . . . 0.0 115.621 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -120.59 179.87 4.2 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.188 1.795 . . . . 0.0 113.574 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 63.9 tp -56.35 -40.82 75.12 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.524 -0.735 . . . . 0.0 111.872 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.1 tp -64.89 -37.33 87.27 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.46 -34.55 90.24 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.177 0.894 . . . . 0.0 113.09 170.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.41 -32.82 73.97 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 171.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.07 -57.82 4.16 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.807 0.843 . . . . 0.0 112.285 169.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.273 38.7 m-85 -75.67 -24.06 56.29 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 118.611 2.819 . . . . 0.0 118.611 -175.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.44 17.37 78.94 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 123.949 0.785 . . . . 0.0 114.887 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.45 152.15 68.38 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 125.825 1.65 . . . . 0.0 109.521 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.31 -18.77 17.81 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.908 3.072 . . . . 0.0 113.805 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.4 p -166.34 159.77 15.12 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.712 1.605 . . . . 0.0 111.556 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -155.65 152.64 28.91 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.598 0.713 . . . . 0.0 112.096 168.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 p -80.14 127.78 32.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.576 1.15 . . . . 0.0 112.052 169.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.433 ' HA ' HD11 ' A' ' 105' ' ' ILE . 63.3 t -72.26 -21.06 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.839 2.056 . . . . 0.0 112.561 -175.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.98 -34.54 71.94 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -84.74 94.44 8.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.654 0.782 . . . . 0.0 112.661 -172.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -50.98 -54.1 27.41 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.544 1.538 . . . . 0.0 113.103 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -56.97 -43.38 81.56 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.737 1.215 . . . . 0.0 112.66 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.57 -47.82 84.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.386 1.474 . . . . 0.0 111.86 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 99' ' ' VAL . 68.9 mt -74.36 -40.05 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 122.875 0.47 . . . . 0.0 111.162 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.68 -41.12 97.13 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.295 1.2 t -69.45 -34.65 74.7 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 173.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.24 -27.94 64.85 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.055 -1.028 . . . . 0.0 113.319 169.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.7 mmt -65.29 -32.22 73.77 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.383 0.992 . . . . 0.0 113.063 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.77 -30.67 70.95 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.572 -0.705 . . . . 0.0 112.765 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.5 t -71.24 -18.67 62.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.428 1.091 . . . . 0.0 113.121 172.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.602 ' HB3' HD22 ' A' ' 40' ' ' LEU . 43.5 mtt -88.64 -1.69 58.2 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.468 -1.395 . . . . 0.0 114.217 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.727 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -69.72 -34.56 74.04 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -168.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.6 -33.09 75.12 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.789 1.177 . . . . 0.0 112.258 175.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -69.93 -41.8 74.13 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 168.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -69.32 -36.91 77.44 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.349 0.66 . . . . 0.0 112.014 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.78 -32.43 71.75 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.72 -1.238 . . . . 0.0 112.464 175.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -68.29 -21.43 64.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.569 1.148 . . . . 0.0 112.887 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.26 -59.1 5.18 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.798 0.726 . . . . 0.0 110.719 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.1 ptp -69.64 -34.1 73.56 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.137 0.426 . . . . 0.0 111.771 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 . . . . . 0 CA--C 1.542 0.649 0 C-N-CA 124.354 1.062 . . . . 0.0 112.908 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 120.97 0.414 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.08 -24.91 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -170.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? 56.01 73.17 0.87 Allowed Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 126.863 2.065 . . . . 0.0 112.821 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.61 160.54 43.89 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.093 2.529 . . . . 0.0 112.653 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -57.53 148.85 53.58 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.59 1.156 . . . . 0.0 112.065 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -62.34 -31.68 81.56 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.708 2.272 . . . . 0.0 112.84 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.57 -39.85 95.46 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.389 1.076 . . . . 0.0 112.348 174.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.6 tp -71.2 -45.21 63.84 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.713 0.805 . . . . 0.0 111.153 174.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -53.16 -45.9 68.64 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.88 -0.581 . . . . 0.0 111.406 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -56.85 -36.02 69.53 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.327 1.051 . . . . 0.0 113.448 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tt -62.67 -37.56 86.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.663 0.785 . . . . 0.0 111.414 172.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.01 -42.16 81.13 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.976 0.91 . . . . 0.0 111.485 170.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -32.94 70.18 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.53 -1.356 . . . . 0.0 112.187 176.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 m -64.74 -17.71 64.39 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.788 1.235 . . . . 0.0 113.792 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 m -113.81 21.15 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 125.861 1.665 . . . . 0.0 112.243 170.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.07 22.34 57.55 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 130.08 43.31 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 119.085 1.442 . . . . 0.0 110.933 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -93.21 -37.95 11.81 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.099 1.888 . . . . 0.0 116.099 -168.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -77.66 170.41 16.62 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.874 1.67 . . . . 0.0 112.17 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -102.57 -2.58 28.21 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 168.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -145.07 147.57 32.72 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.982 1.713 . . . . 0.0 107.443 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -147.74 161.67 40.74 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.681 1.593 . . . . 0.0 114.386 -169.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -80.52 161.77 24.65 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 166.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.7 mtp -55.57 -39.91 71.29 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.654 -1.279 . . . . 0.0 112.832 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -65.68 -42.77 90.89 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.254 1.021 . . . . 0.0 111.744 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.15 -43.58 94.78 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.4 t -63.07 -48.82 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.518 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.1 mt -57.69 -41.63 82.04 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.96 0.8 . . . . 0.0 111.925 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.251 26.3 t80 -55.11 -56.77 16.16 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 171.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -61.89 -41.8 98.32 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.0 -43.69 98.07 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.614 1.166 . . . . 0.0 111.497 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.04 -42.98 99.76 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.55 0.595 . . . . 0.0 112.879 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -64.58 -32.68 74.43 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.205 1.402 . . . . 0.0 112.525 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -68.59 -50.08 54.37 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.709 0.804 . . . . 0.0 112.287 173.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.19 -41.44 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 111.217 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 48.1 ttm -61.8 -55.37 30.76 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.317 1.447 . . . . 0.0 112.197 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -66.68 -34.44 77.87 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -76.61 -13.14 60.09 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.576 1.55 . . . . 0.0 113.77 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 53.45 44.55 29.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.402 2.281 . . . . 0.0 113.201 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.9 mt -75.69 -8.18 56.17 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -63.73 149.06 47.56 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.988 1.848 . . . . 0.0 115.988 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -63.64 148.03 50.03 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.361 -0.837 . . . . 0.0 111.426 169.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -67.58 -34.58 77.33 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.747 -1.221 . . . . 0.0 112.094 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -89.43 -59.86 2.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.139 1.376 . . . . 0.0 110.735 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -96.4 78.03 3.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.786 1.234 . . . . 0.0 109.923 176.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -65.91 -12.85 57.73 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.276 -0.89 . . . . 0.0 113.334 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -77.31 -3.02 37.81 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.231 1.412 . . . . 0.0 113.696 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.3 mt -108.19 127.28 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.687 1.595 . . . . 0.0 109.957 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.9 t -99.74 131.15 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.519 1.528 . . . . 0.0 110.529 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.257 45.5 m-85 -98.76 92.34 5.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.366 1.866 . . . . 0.0 115.481 173.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -79.07 -13.84 59.51 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.513 1.525 . . . . 0.0 113.046 -175.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -55.48 141.26 37.48 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.348 1.459 . . . . 0.0 113.762 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 57.38 20.27 5.79 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.673 1.989 . . . . 0.0 115.402 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -128.43 165.74 20.07 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.988 1.715 . . . . 0.0 113.647 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.3 tp -49.52 -38.99 32.62 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.593 1.157 . . . . 0.0 112.182 170.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.8 tp -59.61 -35.93 75.31 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.02 -30.43 72.16 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.025 0.821 . . . . 0.0 113.107 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -67.72 -29.88 69.23 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 170.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.94 -66.27 0.81 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.922 0.889 . . . . 0.0 111.332 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.301 32.2 m-85 -68.09 -21.59 64.95 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 -172.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.91 17.38 75.32 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 123.881 0.753 . . . . 0.0 114.856 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 m -136.68 153.97 76.2 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 126.109 1.764 . . . . 0.0 109.694 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.13 -28.34 23.6 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.129 2.553 . . . . 0.0 112.957 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -163.93 163.5 23.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.352 1.461 . . . . 0.0 112.343 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -154.39 154.83 33.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.259 1.024 . . . . 0.0 109.993 170.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.8 t -88.16 127.86 35.44 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.509 0.724 . . . . 0.0 111.335 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.39 -23.59 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.681 1.592 . . . . 0.0 112.446 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.53 -26.02 66.57 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.895 1.278 . . . . 0.0 113.62 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -79.44 55.13 1.86 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.415 1.086 . . . . 0.0 112.44 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -51.13 -43.73 61.22 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.309 1.044 . . . . 0.0 112.177 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.4 ptt85 -54.61 -35.16 63.09 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.317 1.847 . . . . 0.0 115.128 174.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -80.28 -45.32 18.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.733 1.213 . . . . 0.0 110.421 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.24 -41.27 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.751 0.82 . . . . 0.0 111.007 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -56.63 -45.15 81.7 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.294 0.7 OUTLIER -68.79 -36.5 78.34 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 173.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 67.1 mtm -64.44 -41.22 96.69 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.555 -0.716 . . . . 0.0 112.154 172.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.4 mmm -66.71 -43.07 85.3 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.893 0.877 . . . . 0.0 111.915 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.35 72.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.502 0.721 . . . . 0.0 112.62 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -69.07 -16.21 63.63 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.3 mtt -92.09 5.81 48.85 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.353 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.468 0 C-N-CA 125.593 1.557 . . . . 0.0 113.118 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 17.3 t80 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 117.871 2.545 . . . . 0.0 117.871 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -57.96 -22.9 51.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.93 -37.3 81.82 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.159 0.984 . . . . 0.0 112.827 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -68.02 -42.16 81.07 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -69.5 -36.38 76.44 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.229 0.612 . . . . 0.0 111.403 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.56 -29.7 69.33 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.852 -1.155 . . . . 0.0 112.398 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -72.76 -18.3 61.51 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.922 0.889 . . . . 0.0 112.931 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.02 -49.37 67.96 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.713 1.142 . . . . 0.0 110.493 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.441 ' SD ' ' HE2' ' A' ' 57' ' ' LYS . 14.5 ptp -78.14 -33.34 50.44 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -172.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 177.133 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.5 mt . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -100.25 -25.07 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -177.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 47.54 72.1 1.37 Allowed Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 127.414 2.286 . . . . 0.0 112.618 -174.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.22 165.89 30.99 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.0 2.466 . . . . 0.0 112.919 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -58.4 146.21 72.81 Favored Pre-proline 0 N--CA 1.478 0.945 0 C-N-CA 124.154 0.982 . . . . 0.0 112.16 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -63.43 -26.2 70.69 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.204 2.603 . . . . 0.0 113.649 -175.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.85 -38.57 82.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.06 0.944 . . . . 0.0 112.134 173.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.71 -43.15 56.55 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.184 0.594 . . . . 0.0 111.354 176.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.52 -40.55 68.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.694 0.798 . . . . 0.0 112.273 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.85 -37.06 80.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.966 0.906 . . . . 0.0 113.01 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.6 -41.33 88.63 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.904 0.882 . . . . 0.0 111.677 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.8 -41.42 91.16 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.085 0.857 . . . . 0.0 110.927 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -68.13 -20.54 64.91 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 172.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.6 m -66.87 -17.21 64.78 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.119 0.872 . . . . 0.0 112.609 169.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.64 16.27 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 126.007 1.723 . . . . 0.0 112.535 168.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.38 23.68 50.13 Favored Glycine 0 CA--C 1.533 1.202 0 N-CA-C 117.022 1.569 . . . . 0.0 117.022 168.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.45 121.65 15.77 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 119.393 1.596 . . . . 0.0 112.146 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -81.23 -34.04 32.44 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -168.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -70.33 166.59 19.89 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.919 1.287 . . . . 0.0 112.17 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -101.55 -5.82 24.67 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.062 1.745 . . . . 0.0 115.626 168.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.11 149.66 28.31 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -141.16 152.78 44.95 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.79 158.78 30.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.42 0.688 . . . . 0.0 112.614 166.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 32.4 ttm -61.19 -34.42 75.04 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.456 -1.402 . . . . 0.0 111.536 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' HE2' ' SD ' ' A' ' 0' ' ' MET . 14.1 tptm -62.12 -43.19 99.37 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.503 1.121 . . . . 0.0 111.055 175.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.26 -43.74 81.1 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.09 0.956 . . . . 0.0 113.193 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.78 -50.26 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.762 0.71 . . . . 0.0 110.444 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.14 -45.7 79.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.362 0.665 . . . . 0.0 111.186 173.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.254 39.9 t80 -52.55 -61.0 2.56 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 174.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -60.18 -40.1 88.81 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.987 1.847 . . . . 0.0 115.987 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.73 -46.67 81.25 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.267 1.027 . . . . 0.0 111.923 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.25 -40.26 96.54 Favored Glycine 0 CA--C 1.526 0.775 0 O-C-N 121.577 -0.702 . . . . 0.0 113.215 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -62.91 -35.82 81.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 117.676 0.738 . . . . 0.0 111.916 172.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -62.41 -51.9 65.71 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 170.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.0 mt -58.76 -42.09 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.59 1.156 . . . . 0.0 111.044 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.2 ttm -66.21 -54.13 28.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.701 1.201 . . . . 0.0 112.276 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -66.97 -33.65 76.04 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.0 -4.94 49.57 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.889 1.275 . . . . 0.0 113.66 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 53.3 44.45 30.11 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 127.46 2.304 . . . . 0.0 113.315 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.5 mt -76.68 -5.79 49.4 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -67.29 148.89 51.11 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -59.65 136.24 57.93 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -65.36 -26.14 67.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -84.89 -63.14 1.38 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.333 1.053 . . . . 0.0 111.726 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -96.77 109.5 22.16 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.086 0.954 . . . . 0.0 111.898 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.43 27.14 0.05 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.034 1.334 . . . . 0.0 114.337 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -141.7 -8.83 0.94 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.924 2.089 . . . . 0.0 112.909 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.8 mt -90.48 136.89 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 120.009 1.277 . . . . 0.0 108.377 171.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -121.28 131.31 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.627 1.571 . . . . 0.0 110.234 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 59.6 m-85 -99.05 137.71 37.19 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 175.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.0 p -153.42 37.95 0.48 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.756 1.223 . . . . 0.0 113.28 -171.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 t -70.75 120.73 16.79 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.505 -1.372 . . . . 0.0 111.979 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 55.41 29.65 13.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.307 1.843 . . . . 0.0 115.905 172.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -120.63 -179.23 3.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.518 1.527 . . . . 0.0 113.677 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.5 tp -55.24 -40.54 71.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.31 1.044 . . . . 0.0 112.884 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.5 -34.09 71.96 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.218 0.607 . . . . 0.0 112.417 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.24 -40.11 96.46 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.339 0.971 . . . . 0.0 113.133 171.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.72 -27.71 68.53 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 173.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.5 mt -76.33 -62.13 1.72 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.169 1.388 . . . . 0.0 112.328 171.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.297 29.6 m-85 -71.76 -20.15 61.92 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 117.671 2.471 . . . . 0.0 117.671 -177.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.88 18.86 80.13 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.378 0.99 . . . . 0.0 114.747 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.2 m -143.53 154.38 59.84 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 125.765 1.626 . . . . 0.0 110.053 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.5 -19.98 18.61 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.823 3.015 . . . . 0.0 113.723 173.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.1 p -163.18 160.71 24.45 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.753 1.621 . . . . 0.0 111.559 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -153.07 175.2 13.25 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.582 1.153 . . . . 0.0 108.349 174.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.8 t -130.14 131.06 45.51 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.294 -0.879 . . . . 0.0 113.012 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -3.21 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 126.182 1.793 . . . . 0.0 114.663 172.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -65.79 -30.05 70.63 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.507 1.123 . . . . 0.0 112.229 169.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -116.28 74.86 0.92 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.602 1.561 . . . . 0.0 112.621 -174.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -50.8 -34.36 27.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.781 1.232 . . . . 0.0 113.383 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.8 -37.63 43.67 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.878 1.671 . . . . 0.0 114.398 174.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -79.06 -40.5 31.1 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.99 0.916 . . . . 0.0 111.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.6 -43.53 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.116 0.566 . . . . 0.0 110.992 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -56.45 -43.66 79.74 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.255 0.9 OUTLIER -65.75 -34.73 78.84 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 174.251 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.5 mtm -74.13 -36.47 64.17 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.361 -0.837 . . . . 0.0 112.555 174.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 92.1 mmm -64.64 -40.59 95.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.635 0.774 . . . . 0.0 111.677 171.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.34 79.56 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.756 -0.59 . . . . 0.0 111.775 171.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.0 m -70.33 -6.13 32.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.8 mtt -93.79 -5.36 48.41 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.672 1.189 . . . . 0.0 114.052 171.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.477 0.922 0 C-N-CA 125.574 1.55 . . . . 0.0 115.087 -178.308 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 38.6 t80 . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -68.05 -32.14 72.29 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.82 -37.11 86.18 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.315 -0.865 . . . . 0.0 111.717 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -68.64 -45.57 71.47 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -67.27 -36.53 81.78 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.402 1.081 . . . . 0.0 111.965 -177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.59 -32.1 71.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.489 1.116 . . . . 0.0 112.291 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -70.86 -19.41 62.64 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.215 1.006 . . . . 0.0 112.433 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.44 -53.18 52.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.185 0.994 . . . . 0.0 111.401 169.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.1 ptp -76.45 -21.69 55.57 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 125.766 1.626 . . . . 0.0 114.166 170.265 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 CA--C 1.542 0.657 0 CA-C-O 120.769 0.319 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -100.18 -22.58 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -173.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 53.37 76.31 0.54 Allowed Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.85 2.06 . . . . 0.0 112.835 -168.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HB3' HD23 ' A' ' 40' ' ' LEU . 24.0 Cg_exo -62.61 155.54 58.07 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.374 2.716 . . . . 0.0 113.995 -174.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 43.3 mtmt -60.19 149.47 75.3 Favored Pre-proline 0 N--CA 1.479 0.987 0 C-N-CA 123.863 0.865 . . . . 0.0 111.549 169.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -61.11 -32.57 91.56 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.747 2.298 . . . . 0.0 112.814 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.46 -37.67 84.43 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.535 1.134 . . . . 0.0 112.383 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 112' ' ' MET . 53.8 tp -76.36 -46.35 27.87 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.733 0.813 . . . . 0.0 111.543 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.09 -38.44 68.11 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.627 0.771 . . . . 0.0 112.093 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -56.0 -42.06 75.83 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.316 1.046 . . . . 0.0 113.234 170.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.27 -44.64 87.4 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.002 0.921 . . . . 0.0 111.684 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mt -61.64 -42.68 99.24 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.859 0.754 . . . . 0.0 111.228 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.67 -21.53 61.06 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -66.06 -23.07 66.46 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.668 0.787 . . . . 0.0 112.741 168.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.2 m -104.53 16.28 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.668 1.587 . . . . 0.0 113.678 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.33 23.67 46.87 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 116.519 1.368 . . . . 0.0 116.519 169.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.56 133.75 55.53 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 119.199 1.5 . . . . 0.0 111.97 173.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -87.15 -45.55 10.57 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -169.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -89.22 173.66 8.28 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.799 2.04 . . . . 0.0 112.594 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -102.29 -3.93 26.44 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 p -135.95 145.15 45.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.206 1.402 . . . . 0.0 108.504 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -149.48 162.47 40.06 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.199 1.8 . . . . 0.0 114.767 -170.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -83.52 165.97 18.66 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.76 1.224 . . . . 0.0 113.286 167.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.4 mmt -53.29 -42.37 66.54 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.253 -0.905 . . . . 0.0 112.575 171.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.85 -44.17 86.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.159 0.984 . . . . 0.0 112.098 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -65.69 -41.01 92.91 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.52 -49.11 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.442 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 mt -58.92 -43.7 91.16 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.268 0.94 . . . . 0.0 111.3 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.268 31.0 t80 -51.41 -59.6 4.06 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 172.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -60.55 -41.67 94.99 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.54 -40.52 97.05 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.733 1.213 . . . . 0.0 111.554 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.56 -38.08 95.25 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 119.275 -0.736 . . . . 0.0 113.381 172.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -62.9 -37.61 87.64 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.8 1.3 . . . . 0.0 111.433 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -67.97 -47.53 68.35 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.226 0.61 . . . . 0.0 110.882 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.03 -39.06 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.012 0.925 . . . . 0.0 111.489 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.0 mtm -66.36 -54.77 20.62 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 173.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -64.46 -33.25 75.45 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -80.83 -12.28 59.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.752 1.621 . . . . 0.0 113.89 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 52.55 48.52 22.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.51 2.324 . . . . 0.0 113.56 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.0 mt -80.18 -5.61 56.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -176.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -67.53 146.35 54.02 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 170.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.9 130.98 45.44 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -62.58 -27.42 69.18 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -81.22 -62.39 1.67 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.703 1.201 . . . . 0.0 111.302 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -110.12 93.15 4.35 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.811 1.244 . . . . 0.0 111.225 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -66.07 -14.27 61.44 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.208 -0.932 . . . . 0.0 113.441 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -76.24 3.97 9.69 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.778 1.231 . . . . 0.0 113.777 169.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.4 mt -119.01 133.96 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.777 1.631 . . . . 0.0 109.411 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.8 t -106.93 133.74 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.451 1.5 . . . . 0.0 111.646 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.298 51.9 m-85 -103.5 83.69 2.2 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.418 1.887 . . . . 0.0 115.542 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 m -73.57 -15.52 61.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.157 1.783 . . . . 0.0 113.462 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -52.46 138.11 28.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.435 1.494 . . . . 0.0 114.292 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 58.55 16.23 4.12 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.951 2.1 . . . . 0.0 115.927 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -120.9 167.79 12.17 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.716 1.607 . . . . 0.0 113.761 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.97 -35.83 35.68 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.671 1.188 . . . . 0.0 112.463 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.79 -37.12 85.44 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.606 -0.684 . . . . 0.0 112.755 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.97 -36.46 51.98 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.188 0.899 . . . . 0.0 112.758 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.47 -31.55 71.52 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 170.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.19 -62.57 1.47 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.972 1.309 . . . . 0.0 112.262 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.263 43.7 m-85 -68.34 -24.77 64.85 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 -174.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.94 16.31 79.47 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.063 0.84 . . . . 0.0 114.738 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.28 153.41 68.8 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 125.995 1.718 . . . . 0.0 109.592 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.42 -25.5 21.42 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.381 2.721 . . . . 0.0 113.425 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.3 p -163.97 163.37 23.49 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.086 1.354 . . . . 0.0 112.675 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -154.41 157.69 38.89 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.472 1.109 . . . . 0.0 110.529 170.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.5 t -93.31 132.34 37.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.844 0.858 . . . . 0.0 111.969 169.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.22 -17.37 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.245 1.818 . . . . 0.0 113.742 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -62.67 -33.13 74.42 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 175.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -88.64 100.44 13.1 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 122.328 1.061 . . . . 0.0 113.083 172.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -68.62 -53.28 23.6 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.223 -176.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -57.14 -35.04 69.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.053 1.741 . . . . 0.0 113.362 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -64.6 -44.71 89.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.681 1.193 . . . . 0.0 111.221 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.8 mt -66.1 -47.46 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 119.038 -0.506 . . . . 0.0 110.92 173.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -55.33 -46.6 76.33 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -61.48 -40.65 95.33 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 75.2 mtm -67.44 -45.86 74.8 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.697 -0.627 . . . . 0.0 112.132 174.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -78.2 -21.13 50.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.722 0.809 . . . . 0.0 112.217 -173.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.58 -24.99 66.42 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.947 -1.096 . . . . 0.0 112.065 168.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -70.06 -16.34 63.13 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.717 -1.24 . . . . 0.0 112.26 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.488 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 35.9 mtt -83.63 4.0 30.35 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.112 1.365 . . . . 0.0 113.023 171.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.475 0.776 0 C-N-CA 126.185 1.794 . . . . 0.0 114.567 177.629 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 45.8 t80 . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -68.86 -30.77 69.36 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -172.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -65.18 -41.29 94.76 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.324 -0.86 . . . . 0.0 111.5 172.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -63.36 -41.78 98.85 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 169.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -70.12 -38.25 75.53 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.636 0.775 . . . . 0.0 111.668 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.69 -30.82 71.85 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.977 -1.077 . . . . 0.0 111.932 173.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -29.03 70.1 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.678 1.191 . . . . 0.0 112.91 177.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.37 -53.4 58.59 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.403 0.681 . . . . 0.0 111.299 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.3 ptp -81.24 -28.36 34.84 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -172.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 . . . . . 0 N--CA 1.472 0.646 0 C-N-CA 124.473 1.109 . . . . 0.0 113.07 176.662 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.6 mt . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 m -99.05 -24.21 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 53.67 77.98 0.42 Allowed Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 126.949 2.1 . . . . 0.0 112.287 -168.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.431 ' CB ' HD23 ' A' ' 40' ' ' LEU . 58.7 Cg_endo -70.95 152.88 63.55 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 122.743 2.295 . . . . 0.0 111.842 176.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 0.1 OUTLIER -65.75 155.81 85.09 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 123.369 0.668 . . . . 0.0 111.956 178.229 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -57.5 -33.14 95.95 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.109 2.54 . . . . 0.0 114.444 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.7 tp -63.05 -34.37 77.42 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.301 1.041 . . . . 0.0 112.602 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 112' ' ' MET . 50.6 tp -76.9 -42.91 37.71 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 123.883 0.873 . . . . 0.0 111.252 174.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.3 tp -55.89 -40.15 72.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.207 0.603 . . . . 0.0 112.084 175.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -56.09 -45.44 79.39 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.051 0.94 . . . . 0.0 112.241 170.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.19 -45.47 88.2 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.854 0.861 . . . . 0.0 111.698 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.13 -43.3 99.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.707 0.803 . . . . 0.0 110.745 176.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -75.26 -19.14 59.88 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 p -64.54 -27.26 68.84 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 118.955 0.798 . . . . 0.0 112.195 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -99.51 14.91 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.399 1.48 . . . . 0.0 113.237 169.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.69 29.31 32.68 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 116.042 1.177 . . . . 0.0 116.042 169.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.35 136.49 57.94 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 119.211 1.505 . . . . 0.0 110.987 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -91.53 -17.72 25.23 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -167.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -104.9 169.63 8.33 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.826 2.051 . . . . 0.0 115.094 -171.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -93.43 -19.56 21.16 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.683 1.993 . . . . 0.0 116.172 169.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 p -142.93 152.29 41.87 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.704 2.002 . . . . 0.0 108.049 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -145.36 163.59 34.1 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.922 1.289 . . . . 0.0 114.42 -169.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -83.55 161.5 21.18 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.748 1.219 . . . . 0.0 114.117 166.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.1 mmt -54.79 -43.06 72.53 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.887 -1.133 . . . . 0.0 112.42 173.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -71.37 -33.83 69.89 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.233 1.013 . . . . 0.0 112.832 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.68 -45.05 84.32 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 170.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.88 -45.41 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.099 0.56 . . . . 0.0 109.98 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.65 -47.27 85.02 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.931 0.787 . . . . 0.0 111.539 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -52.46 -57.53 9.59 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 174.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -62.1 -38.17 87.86 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.6 tp -65.61 -41.45 92.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.911 0.885 . . . . 0.0 111.838 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.45 -42.2 99.72 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 121.432 -0.792 . . . . 0.0 112.672 173.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -61.09 -37.26 82.08 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 117.794 0.797 . . . . 0.0 112.664 171.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.06 -50.03 70.01 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.03 -37.45 77.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.296 1.038 . . . . 0.0 111.486 177.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.8 mtm -64.73 -52.18 58.41 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 173.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -66.5 -35.26 79.82 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -77.96 -19.38 54.65 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.816 1.646 . . . . 0.0 114.014 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 56.0 46.29 22.12 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.234 2.214 . . . . 0.0 113.404 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.7 mt -76.62 -12.03 59.95 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -67.11 151.83 46.87 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -65.3 130.54 43.71 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.387 -0.82 . . . . 0.0 111.543 167.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -56.45 -29.67 61.95 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -86.99 -64.44 1.15 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.21 1.004 . . . . 0.0 110.922 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -86.96 74.63 9.69 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.025 1.33 . . . . 0.0 110.351 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -67.57 -14.5 62.99 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.304 -0.873 . . . . 0.0 112.832 -174.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -80.15 4.04 18.63 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.131 1.372 . . . . 0.0 113.916 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.5 mt -124.99 129.93 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.527 1.531 . . . . 0.0 110.285 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.0 t -101.31 136.46 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.952 1.701 . . . . 0.0 110.626 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 73.9 m-85 -110.93 62.21 0.61 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.054 2.141 . . . . 0.0 115.042 -178.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.48 2.53 3.02 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -171.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.7 t -48.79 133.07 17.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.319 1.448 . . . . 0.0 113.869 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 59.93 1.09 0.3 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.634 2.374 . . . . 0.0 116.798 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -85.56 167.92 14.96 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 120.962 -1.087 . . . . 0.0 111.9 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.2 tp -53.37 -36.93 61.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.049 0.94 . . . . 0.0 111.418 168.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.88 -35.06 76.43 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.92 -36.54 92.98 Favored Glycine 0 CA--C 1.532 1.134 0 O-C-N 121.571 -0.706 . . . . 0.0 112.691 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.84 -26.92 65.4 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 171.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.5 mt -78.7 -53.68 6.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.075 1.35 . . . . 0.0 112.454 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.27 32.9 m-85 -70.32 -24.19 62.97 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 117.229 2.307 . . . . 0.0 117.229 175.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.59 19.42 79.88 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.468 1.032 . . . . 0.0 114.625 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.89 154.52 62.25 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 125.671 1.588 . . . . 0.0 110.209 -175.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -71.62 -24.0 22.44 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.379 2.72 . . . . 0.0 113.373 173.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.8 p -161.73 159.8 27.68 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.022 1.329 . . . . 0.0 112.171 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.52 153.67 31.85 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.961 0.904 . . . . 0.0 109.547 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.8 t -90.04 128.64 36.33 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.952 0.901 . . . . 0.0 112.284 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.94 -29.56 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.473 1.509 . . . . 0.0 113.122 172.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -66.38 -29.49 69.67 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.569 1.548 . . . . 0.0 112.532 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -80.82 60.65 4.16 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.453 1.501 . . . . 0.0 111.988 173.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -53.54 -41.58 66.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -169.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -62.14 -37.49 85.37 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.22 1.008 . . . . 0.0 113.054 -176.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -64.81 -42.91 94.62 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.955 0.902 . . . . 0.0 110.813 174.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.23 -47.85 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.007 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -57.06 -42.74 81.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.072 1.305 . . . . 0.0 113.275 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.289 0.8 OUTLIER -69.19 -36.19 77.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 175.295 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.2 mtm -69.72 -35.51 75.08 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.105 -0.997 . . . . 0.0 112.614 171.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 90.4 mmm -66.2 -40.36 90.32 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.467 1.107 . . . . 0.0 111.474 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.87 72.01 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.631 -0.668 . . . . 0.0 112.478 171.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.1 m -70.53 -14.95 62.72 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 172.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.495 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 45.3 mtt -81.83 -12.32 58.56 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.729 -1.232 . . . . 0.0 113.116 169.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.29 1.3 p . . . . . 0 N--CA 1.475 0.801 0 C-N-CA 126.713 2.005 . . . . 0.0 115.619 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 35.8 t80 . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -66.45 -31.0 71.48 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -65.0 -41.47 95.36 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.319 -0.863 . . . . 0.0 111.668 173.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -64.69 -40.2 94.97 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 169.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -73.87 -33.98 64.27 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.139 0.976 . . . . 0.0 111.848 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 15.5 tp -63.21 -31.17 72.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.755 -1.215 . . . . 0.0 111.971 171.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -25.67 67.43 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.924 1.29 . . . . 0.0 112.31 178.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.22 -56.5 18.03 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.36 0.664 . . . . 0.0 111.281 170.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.6 ptp -72.49 -29.65 63.83 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 124.547 1.139 . . . . 0.0 112.976 173.106 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 CA--C 1.539 0.531 0 CA-C-O 121.792 0.806 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.41 HG21 HG21 ' A' ' 113' ' ' THR . 2.2 m -126.08 161.02 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.963 2.505 . . . . 0.0 111.108 168.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.19 90.92 10.48 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 123.41 0.684 . . . . 0.0 109.702 173.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.83 152.91 80.23 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.506 2.138 . . . . 0.0 112.488 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.61 157.47 57.36 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 124.146 0.978 . . . . 0.0 112.654 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -55.68 -35.58 93.37 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.26 2.64 . . . . 0.0 114.701 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.15 -33.47 75.86 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.088 0.955 . . . . 0.0 112.758 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.8 tp -79.79 -42.9 23.48 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 124.224 1.009 . . . . 0.0 111.281 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -55.66 -40.73 72.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.499 0.72 . . . . 0.0 111.767 174.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -54.95 -45.72 74.91 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.446 1.098 . . . . 0.0 112.523 170.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.37 -46.06 85.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.053 0.941 . . . . 0.0 111.372 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.17 -40.46 93.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.803 0.841 . . . . 0.0 110.934 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -71.74 -25.05 61.9 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.0 p -64.81 -26.73 68.47 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.267 0.94 . . . . 0.0 112.232 172.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -98.84 12.17 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.944 1.697 . . . . 0.0 113.367 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.3 28.16 28.51 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.208 1.385 . . . . 0.0 116.433 168.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.66 137.21 45.89 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.415 1.607 . . . . 0.0 111.28 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -89.49 -31.69 17.55 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -168.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -93.14 177.21 6.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.774 1.63 . . . . 0.0 113.649 -169.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -112.61 -0.07 15.26 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.241 1.816 . . . . 0.0 114.786 167.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 p -137.99 143.87 40.85 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.908 2.083 . . . . 0.0 106.962 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -148.26 155.74 41.7 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -170.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 p -77.34 158.11 30.31 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 118.788 0.722 . . . . 0.0 112.686 165.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.6 mmt -58.16 -38.61 76.96 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.85 -1.156 . . . . 0.0 112.863 173.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -66.76 -37.47 84.67 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.123 0.874 . . . . 0.0 112.805 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.77 -47.04 85.22 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.654 1.116 . . . . 0.0 112.648 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.14 -48.02 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 122.996 0.518 . . . . 0.0 110.498 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 mt -57.95 -49.14 77.81 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.752 0.705 . . . . 0.0 111.745 175.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -51.34 -56.01 15.41 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 115.486 1.661 . . . . 0.0 115.486 175.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -62.45 -41.92 99.09 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.94 -39.47 94.71 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.921 0.888 . . . . 0.0 111.591 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.49 -51.33 57.09 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 170.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -59.0 -33.94 71.28 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.969 0.885 . . . . 0.0 112.445 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.03 -49.02 64.03 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.919 0.781 . . . . 0.0 112.114 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.33 -38.61 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.439 1.095 . . . . 0.0 111.123 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 41.9 mtp -67.45 -51.85 46.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.321 1.448 . . . . 0.0 113.34 175.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -65.23 -32.84 74.71 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -82.6 -16.36 48.72 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.661 1.585 . . . . 0.0 114.663 172.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 52.92 48.4 22.52 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 127.197 2.199 . . . . 0.0 113.312 -174.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.4 mt -74.21 -11.82 60.39 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -62.75 148.11 47.74 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.77 129.7 41.19 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.332 -0.855 . . . . 0.0 112.744 168.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.12 -28.28 67.73 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -80.96 -68.85 0.65 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.884 0.874 . . . . 0.0 110.109 173.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -100.48 91.01 4.49 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.104 0.962 . . . . 0.0 110.239 -178.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.37 -8.96 44.73 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.203 -0.935 . . . . 0.0 112.844 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -81.22 10.2 5.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.897 1.679 . . . . 0.0 113.086 167.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.2 mt -126.54 137.88 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.739 2.015 . . . . 0.0 108.932 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.46 126.26 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 125.62 1.568 . . . . 0.0 110.636 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.29 55.8 m-85 -95.19 65.0 2.79 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.061 2.144 . . . . 0.0 115.199 177.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.73 -6.15 24.71 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.868 2.174 . . . . 0.0 116.868 -169.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.3 t -45.84 129.98 9.41 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.736 1.615 . . . . 0.0 114.037 -177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 59.53 -22.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.692 2.797 . . . . 0.0 117.691 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.251 16.2 m-20 -78.08 55.55 1.49 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.295 1.838 . . . . 0.0 115.536 172.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.3 tp 60.18 -50.88 0.09 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 129.514 3.126 . . . . 0.0 115.515 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.73 -29.75 70.74 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.169 1.788 . . . . 0.0 114.188 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.46 -32.91 82.82 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.414 -0.804 . . . . 0.0 113.41 172.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -74.08 -25.91 60.08 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.9 mt -73.47 -54.8 7.39 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.151 0.98 . . . . 0.0 111.603 170.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.266 39.0 m-85 -70.08 -21.36 63.15 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 116.946 2.202 . . . . 0.0 116.946 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.37 22.06 76.47 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.472 1.034 . . . . 0.0 114.262 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.8 m -146.36 155.62 49.89 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.183 1.793 . . . . 0.0 109.523 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.29 -23.93 20.28 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.178 2.586 . . . . 0.0 113.379 172.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.3 p -159.82 159.04 32.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.3 1.44 . . . . 0.0 112.099 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -150.9 162.82 40.06 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.957 0.903 . . . . 0.0 109.536 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -107.78 114.98 29.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.274 1.429 . . . . 0.0 113.46 -174.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.96 -22.52 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.277 1.431 . . . . 0.0 114.067 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -56.86 -28.53 61.86 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.067 1.747 . . . . 0.0 113.348 169.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -110.93 73.08 0.8 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.105 1.362 . . . . 0.0 111.944 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -50.3 -40.56 48.96 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.744 1.218 . . . . 0.0 113.241 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -35.46 47.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.256 1.823 . . . . 0.0 114.175 175.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -81.62 -35.53 29.97 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.23 1.412 . . . . 0.0 111.596 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.05 -45.16 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.236 0.615 . . . . 0.0 110.89 173.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -54.53 -45.87 73.48 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 t -64.89 -36.8 85.53 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.8 mtm -72.2 -39.09 68.86 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.605 -0.684 . . . . 0.0 112.359 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.9 mmm -63.46 -40.44 97.13 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.966 0.907 . . . . 0.0 111.754 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.47 -29.09 70.43 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.601 0.76 . . . . 0.0 112.777 174.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.7 m -74.97 -16.56 60.63 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 176.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.9 mtt -79.35 -1.79 38.56 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.41 HG21 HG21 ' A' ' 34' ' ' VAL 0.269 2.0 p . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 126.297 1.839 . . . . 0.0 115.634 -176.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 13.5 t80 . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -66.02 -27.3 68.01 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -62.02 -39.5 92.5 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.307 -0.871 . . . . 0.0 111.447 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -71.45 -42.72 67.84 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -67.77 -34.84 77.59 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.53 0.732 . . . . 0.0 111.834 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.58 -32.48 70.41 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.396 1.079 . . . . 0.0 112.434 174.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -73.12 -19.08 61.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.908 0.883 . . . . 0.0 112.899 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 73.5 mt -64.54 -55.63 19.28 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.512 0.596 . . . . 0.0 110.842 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.21 -23.55 64.84 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -172.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 171.045 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.96 169.27 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 130.013 3.325 . . . . 0.0 109.99 168.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -112.3 91.4 16.27 Favored Pre-proline 0 N--CA 1.472 0.637 0 O-C-N 121.893 -0.504 . . . . 0.0 111.403 172.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -62.96 148.85 93.02 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.646 2.231 . . . . 0.0 112.67 175.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.46 156.71 50.91 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 124.912 1.285 . . . . 0.0 113.007 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -56.09 -35.17 94.54 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.272 2.648 . . . . 0.0 114.636 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.51 -35.66 81.21 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.209 1.004 . . . . 0.0 112.524 175.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.0 tp -79.1 -40.72 30.38 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.753 1.221 . . . . 0.0 111.49 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.1 tp -55.63 -41.08 73.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.795 0.838 . . . . 0.0 111.847 172.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.86 -41.41 82.37 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.8 0.84 . . . . 0.0 112.658 172.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 tt -65.92 -47.7 73.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.028 0.931 . . . . 0.0 111.335 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.68 -41.91 96.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.108 0.963 . . . . 0.0 111.163 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -74.39 -24.16 59.08 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.6 p -64.56 -26.65 68.51 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.189 0.904 . . . . 0.0 112.374 170.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.9 m -98.01 13.38 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.833 1.653 . . . . 0.0 114.263 169.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 22.35 30.02 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 117.0 1.56 . . . . 0.0 117.0 168.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.61 166.04 13.58 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 119.626 1.713 . . . . 0.0 112.572 172.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -136.76 -27.62 1.01 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -169.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -83.95 176.9 8.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.478 1.511 . . . . 0.0 113.523 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -101.91 -38.15 7.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.154 1.382 . . . . 0.0 114.084 167.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -99.99 148.71 24.21 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.212 1.805 . . . . 0.0 107.977 172.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -145.26 151.41 38.32 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.612 1.565 . . . . 0.0 113.078 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -73.41 153.29 40.48 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.351 0.978 . . . . 0.0 112.782 167.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 mtp -60.5 -30.91 70.01 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.644 -1.285 . . . . 0.0 112.24 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -68.39 -41.5 80.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.089 1.356 . . . . 0.0 112.413 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.42 -42.89 98.74 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.158 0.89 . . . . 0.0 112.64 172.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.39 -49.73 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.607 0.763 . . . . 0.0 109.467 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.65 -47.68 83.62 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.098 0.863 . . . . 0.0 111.356 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -51.77 -50.98 59.62 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 176.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -72.57 -35.26 67.92 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.27 -40.64 96.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.037 0.935 . . . . 0.0 111.595 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.47 -39.52 97.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 121.77 -0.581 . . . . 0.0 112.97 171.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -63.23 -34.74 78.32 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.3 1.05 . . . . 0.0 113.216 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -66.42 -47.43 73.26 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.633 0.652 . . . . 0.0 111.799 173.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.51 -38.47 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.328 1.051 . . . . 0.0 111.604 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.1 mtm -65.61 -54.36 28.92 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 173.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 t -63.55 -33.47 75.66 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -79.77 -13.82 59.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.636 1.575 . . . . 0.0 114.126 171.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 53.5 46.28 26.48 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.857 2.463 . . . . 0.0 113.224 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.8 mt -78.9 -10.13 59.71 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -173.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -65.48 147.88 52.67 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -67.61 129.86 41.23 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.311 -0.868 . . . . 0.0 113.225 170.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.01 -26.71 68.39 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.222 -0.924 . . . . 0.0 113.298 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -83.47 -67.37 0.8 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.439 1.096 . . . . 0.0 110.955 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -91.92 88.8 6.75 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.333 1.053 . . . . 0.0 110.835 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.61 -17.51 62.95 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -86.63 6.36 31.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.946 1.698 . . . . 0.0 114.207 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -121.97 138.8 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.405 1.482 . . . . 0.0 110.404 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.6 t -114.3 135.7 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.034 1.734 . . . . 0.0 110.7 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -107.58 130.07 54.92 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.283 1.833 . . . . 0.0 114.463 173.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.8 p -146.64 16.49 1.27 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -168.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.9 t -54.71 125.93 21.95 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.15 -0.969 . . . . 0.0 112.295 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 58.32 9.76 1.12 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 127.13 2.172 . . . . 0.0 116.381 -175.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -87.28 166.04 15.2 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.512 1.125 . . . . 0.0 112.501 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.82 -38.69 61.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.1 0.96 . . . . 0.0 112.054 169.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.2 tp -67.49 -35.47 79.21 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.93 -35.0 65.22 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.678 0.656 . . . . 0.0 112.616 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.2 -29.76 70.6 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 170.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.3 mt -74.91 -64.09 1.12 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.904 1.282 . . . . 0.0 112.01 169.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.279 37.5 m-85 -67.29 -21.07 65.7 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 -177.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.85 18.6 78.68 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.66 1.124 . . . . 0.0 114.831 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.3 m -143.16 153.61 60.16 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 125.396 1.478 . . . . 0.0 110.553 -174.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.78 -20.21 20.2 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.753 2.969 . . . . 0.0 113.866 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -164.04 160.62 21.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.792 1.637 . . . . 0.0 111.186 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -154.83 157.05 37.3 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.536 0.684 . . . . 0.0 110.464 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.3 t -92.06 127.72 37.64 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.47 1.108 . . . . 0.0 112.165 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.2 t -66.51 -31.04 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.496 1.518 . . . . 0.0 113.208 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -64.51 -30.62 71.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.358 1.463 . . . . 0.0 112.498 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -79.6 58.05 2.62 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.467 1.507 . . . . 0.0 112.514 177.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -51.89 -40.63 60.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.902 1.281 . . . . 0.0 114.39 -169.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -57.77 -42.18 83.53 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.724 1.21 . . . . 0.0 112.788 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -67.66 -41.23 84.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.959 0.903 . . . . 0.0 111.868 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.0 mt -61.46 -47.79 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.0 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.59 -44.68 85.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.782 1.174 . . . . 0.0 113.837 -176.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.254 1.5 t -66.35 -40.75 90.01 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 74.1 mtm -65.41 -42.6 92.39 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.574 -0.704 . . . . 0.0 112.111 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -76.73 -32.63 57.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 0.0 111.607 -175.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.33 80.18 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.446 -0.784 . . . . 0.0 111.813 172.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 m -64.16 -16.45 61.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.255 1.022 . . . . 0.0 113.739 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.0 mtt -78.22 -3.01 40.54 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.422 1.089 . . . . 0.0 113.459 171.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.269 1.6 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -170.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -68.44 -30.53 69.43 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -170.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -63.42 -40.58 97.57 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.272 -0.893 . . . . 0.0 111.603 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -64.6 -42.26 95.68 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 168.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -70.86 -36.33 72.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.197 0.599 . . . . 0.0 112.194 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 14.9 tp -64.4 -32.49 74.13 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.931 -1.106 . . . . 0.0 112.477 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -64.1 -30.72 71.77 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.129 1.372 . . . . 0.0 111.696 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.26 -54.21 32.65 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.981 0.913 . . . . 0.0 111.817 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 0' ' ' MET . . . . . 0.463 ' SD ' ' HE2' ' A' ' 57' ' ' LYS . 13.0 ptp -67.99 -29.48 68.52 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -173.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 . . . . . 0 CA--C 1.545 0.779 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 173.342 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.9 m -103.6 -24.79 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -172.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 47.03 81.16 0.26 Allowed Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 127.597 2.359 . . . . 0.0 111.535 -169.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -67.62 159.71 51.36 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.158 1.905 . . . . 0.0 112.807 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -56.79 146.1 59.39 Favored Pre-proline 0 N--CA 1.473 0.713 0 C-N-CA 125.973 1.709 . . . . 0.0 111.928 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.1 -31.21 83.3 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.144 2.563 . . . . 0.0 113.429 -171.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.69 -35.98 81.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.135 0.974 . . . . 0.0 111.901 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 tp -72.14 -45.9 58.67 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.381 0.672 . . . . 0.0 111.815 169.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 tp -53.77 -39.96 65.82 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.016 0.526 . . . . 0.0 111.614 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -62.0 -34.29 75.92 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 174.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.19 -39.23 92.01 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.64 -0.663 . . . . 0.0 110.905 170.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.95 -41.68 90.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.124 0.57 . . . . 0.0 111.153 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -59.71 -32.25 70.35 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.439 -1.413 . . . . 0.0 112.982 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -65.16 -14.72 61.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.592 1.157 . . . . 0.0 113.573 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.32 22.39 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.316 1.847 . . . . 0.0 112.547 170.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.35 23.01 59.5 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 116.583 1.393 . . . . 0.0 116.583 169.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 120.1 9.97 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 118.97 1.385 . . . . 0.0 112.426 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -77.3 -51.95 10.02 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -169.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -71.73 173.42 8.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.432 1.893 . . . . 0.0 112.728 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -112.54 2.52 16.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.479 1.912 . . . . 0.0 115.308 168.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -136.57 137.4 40.16 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.448 1.899 . . . . 0.0 106.862 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -143.3 156.96 44.85 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.38 1.472 . . . . 0.0 114.564 -173.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -79.88 162.45 25.01 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 166.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.1 mmt -55.75 -37.14 68.11 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.738 -1.226 . . . . 0.0 112.926 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.463 ' HE2' ' SD ' ' A' ' 0' ' ' MET . 13.1 tptm -63.26 -44.79 94.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.565 1.146 . . . . 0.0 110.888 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -68.38 -42.96 78.33 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.514 1.126 . . . . 0.0 113.295 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.88 -49.29 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.557 0.617 . . . . 0.0 110.486 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.47 -41.53 85.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.809 0.731 . . . . 0.0 111.816 173.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.253 26.5 t80 -52.93 -58.69 6.11 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 171.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -60.18 -38.85 84.47 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.19 -44.34 88.73 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.205 1.002 . . . . 0.0 111.694 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.75 -41.71 98.83 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.557 -0.714 . . . . 0.0 112.741 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -60.86 -36.74 79.96 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.985 0.893 . . . . 0.0 112.759 171.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -64.88 -49.47 70.36 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.13 -40.05 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.356 1.062 . . . . 0.0 111.387 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.2 mtm -63.55 -55.63 22.37 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -64.39 -31.2 72.3 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -81.15 -14.88 57.21 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.586 1.554 . . . . 0.0 114.224 173.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? 52.37 46.72 26.14 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.788 2.035 . . . . 0.0 113.577 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -76.5 -12.49 60.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -67.25 151.2 47.93 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 117.24 2.311 . . . . 0.0 117.24 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -64.13 128.21 34.83 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.464 -0.773 . . . . 0.0 112.549 168.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -58.22 -30.26 66.35 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.293 -0.879 . . . . 0.0 113.247 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -80.15 -68.64 0.66 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.243 1.017 . . . . 0.0 110.983 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -96.42 85.29 3.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.051 0.94 . . . . 0.0 110.606 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.03 -14.35 62.81 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -74.07 0.04 15.01 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.382 1.073 . . . . 0.0 113.229 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.5 mt -114.61 125.11 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.382 1.473 . . . . 0.0 109.7 173.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.4 t -97.7 129.98 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.362 1.465 . . . . 0.0 111.665 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.298 55.3 m-85 -100.06 79.43 2.18 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.397 1.879 . . . . 0.0 115.397 177.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.6 m -69.93 -13.85 62.44 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.355 1.862 . . . . 0.0 113.827 -172.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.4 t -51.89 137.74 25.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.269 1.427 . . . . 0.0 113.631 -173.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 58.88 18.15 5.9 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.541 1.936 . . . . 0.0 115.779 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -120.33 167.05 12.71 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.199 1.4 . . . . 0.0 112.317 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.3 tp -51.04 -34.03 27.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.029 1.332 . . . . 0.0 112.09 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.96 -36.54 84.28 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 174.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.42 -36.14 69.24 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.918 0.771 . . . . 0.0 112.361 174.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.78 -29.61 70.8 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 170.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.0 mt -75.22 -65.17 0.92 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.035 1.334 . . . . 0.0 112.172 170.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.286 30.0 m-85 -70.99 -19.34 62.54 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 -173.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.99 18.27 77.62 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.083 0.849 . . . . 0.0 114.553 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.0 m -139.11 153.81 71.76 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 125.912 1.685 . . . . 0.0 110.004 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.21 -25.53 26.39 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.235 2.623 . . . . 0.0 113.022 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.2 p -163.42 162.84 25.04 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.143 1.377 . . . . 0.0 112.801 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -152.3 158.67 43.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.477 1.111 . . . . 0.0 109.034 169.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 t -99.08 127.86 45.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.893 0.877 . . . . 0.0 112.105 174.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.02 -16.83 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 127.003 2.121 . . . . 0.0 113.514 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -56.47 -36.0 68.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.08 1.352 . . . . 0.0 112.64 170.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -89.77 101.63 14.32 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 122.583 1.183 . . . . 0.0 113.885 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -63.79 -62.5 1.61 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.324 1.45 . . . . 0.0 112.865 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -58.58 -41.68 86.29 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.523 1.129 . . . . 0.0 112.356 -174.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.77 -43.77 97.6 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.59 1.156 . . . . 0.0 111.939 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.8 mt -69.88 -46.99 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.529 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -56.09 -46.07 79.17 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 t -64.84 -37.27 87.05 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 175.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.44 -37.74 77.51 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.383 -0.823 . . . . 0.0 112.737 172.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.8 mmm -65.77 -40.4 92.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.868 0.758 . . . . 0.0 111.72 174.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.09 -35.01 77.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.548 -0.72 . . . . 0.0 112.294 173.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 m -68.25 -6.34 23.22 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 60.4 mtt -100.31 3.25 43.27 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.261 1.424 . . . . 0.0 113.647 173.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.344 1.3 p . . . . . 0 N--CA 1.477 0.92 0 C-N-CA 125.915 1.686 . . . . 0.0 115.07 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -68.81 -31.97 71.35 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -65.46 -19.87 66.12 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.434 -0.791 . . . . 0.0 112.555 173.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -90.0 -39.13 13.15 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 167.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -70.63 -33.84 71.44 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.396 1.078 . . . . 0.0 112.072 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 18.0 tp -58.46 -30.89 67.31 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.92 -1.112 . . . . 0.0 112.385 174.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.34 -28.86 69.59 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.628 1.571 . . . . 0.0 112.324 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.29 -53.6 41.58 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.302 0.641 . . . . 0.0 111.052 173.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.0 ptp -70.15 -23.55 63.02 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 . . . . . 0 CA--C 1.549 0.941 0 C-N-CA 125.891 1.676 . . . . 0.0 113.063 169.884 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.0 mt . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 m -97.89 -19.7 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -172.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 49.43 69.74 2.5 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 127.187 2.195 . . . . 0.0 113.159 -172.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.53 163.88 37.56 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.22 2.613 . . . . 0.0 113.86 -171.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 30.9 mtmt -58.32 149.62 58.1 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 124.632 1.173 . . . . 0.0 112.433 175.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -61.65 -31.43 86.56 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.773 2.315 . . . . 0.0 112.545 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.4 -35.68 79.98 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.358 1.063 . . . . 0.0 112.329 172.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.562 HD22 ' HB3' ' A' ' 112' ' ' MET . 55.9 tp -76.05 -45.64 33.24 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.225 0.61 . . . . 0.0 111.474 174.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 tp -53.27 -39.9 64.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.057 0.943 . . . . 0.0 111.846 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -55.8 -42.13 75.17 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.611 1.165 . . . . 0.0 113.026 171.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.47 -41.95 88.23 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.145 0.978 . . . . 0.0 111.929 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.4 -42.36 98.78 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.412 0.625 . . . . 0.0 110.947 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -71.01 -22.44 62.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.582 1.153 . . . . 0.0 114.094 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.7 m -64.37 -21.32 66.59 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.784 0.833 . . . . 0.0 112.635 169.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.8 m -109.65 16.17 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.778 1.631 . . . . 0.0 113.112 168.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.37 30.82 39.68 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.986 1.279 . . . . 0.0 115.773 168.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.52 132.08 45.71 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 118.909 1.354 . . . . 0.0 111.118 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -81.51 -39.28 24.97 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -167.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -77.47 165.13 24.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.627 1.571 . . . . 0.0 114.928 -173.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -92.12 -15.64 27.43 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.124 1.769 . . . . 0.0 114.276 166.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.5 p -143.88 143.98 31.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.564 1.545 . . . . 0.0 109.352 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -140.61 163.85 31.75 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.034 1.734 . . . . 0.0 112.991 -169.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -86.41 165.96 15.92 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.318 1.447 . . . . 0.0 114.343 167.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.4 mtp -58.89 -41.06 86.24 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.879 -1.138 . . . . 0.0 112.523 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -63.56 -40.14 96.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.687 0.795 . . . . 0.0 112.49 174.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -68.27 -41.98 80.27 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.34 -47.32 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.04 -47.45 85.18 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.699 0.681 . . . . 0.0 111.105 175.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -51.76 -58.45 6.37 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -60.88 -37.31 81.73 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 tp -65.14 -43.63 91.23 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.199 1.0 . . . . 0.0 111.976 173.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.4 99.14 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.283 -0.886 . . . . 0.0 112.826 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.81 -36.57 79.4 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.85 -0.794 . . . . 0.0 112.352 171.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -64.53 -48.99 73.05 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.9 -38.44 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.497 1.119 . . . . 0.0 111.589 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 73.4 mtm -65.4 -54.53 27.4 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 173.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -63.85 -32.99 74.7 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -79.96 -17.25 53.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.939 1.696 . . . . 0.0 114.133 172.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 52.09 48.02 23.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.912 2.485 . . . . 0.0 113.143 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.7 mt -74.74 -11.02 60.06 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -176.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.282 13.4 p90 -68.14 151.44 47.0 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 173.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.12 132.05 52.49 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 172.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -60.67 -26.36 67.04 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.226 -0.921 . . . . 0.0 113.352 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -83.96 -69.0 0.67 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.619 1.168 . . . . 0.0 110.932 170.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -92.23 82.6 5.0 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.503 1.121 . . . . 0.0 111.002 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -69.63 -5.81 27.17 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -89.22 3.65 51.28 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.304 1.441 . . . . 0.0 113.582 169.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.53 125.17 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.686 1.594 . . . . 0.0 110.115 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 t -91.25 135.35 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.778 1.631 . . . . 0.0 112.56 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.28 64.1 m-85 -112.66 64.75 0.63 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.036 2.134 . . . . 0.0 114.867 176.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.3 p -68.71 -3.58 12.68 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 -172.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -50.34 145.54 6.15 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.329 1.852 . . . . 0.0 114.877 -176.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 57.3 27.85 14.33 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.49 1.916 . . . . 0.0 115.358 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -145.51 174.87 10.78 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.723 1.209 . . . . 0.0 108.629 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.8 tp -53.14 -39.38 63.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.762 1.625 . . . . 0.0 113.109 -175.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.9 -35.83 72.47 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.42 -37.69 94.8 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.654 -0.654 . . . . 0.0 112.178 171.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.06 -32.67 74.49 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 170.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.01 -56.68 5.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.872 1.269 . . . . 0.0 112.318 172.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -68.67 -27.58 66.11 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.4 16.4 80.64 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.095 0.855 . . . . 0.0 114.618 -176.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 m -139.95 152.77 68.58 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 125.729 1.611 . . . . 0.0 109.771 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -73.8 -25.35 14.59 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.398 2.732 . . . . 0.0 113.665 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.5 p -163.44 161.44 24.28 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.497 1.119 . . . . 0.0 113.141 -176.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -159.94 153.73 22.86 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.866 1.266 . . . . 0.0 110.037 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.6 t -86.39 130.37 34.53 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.22 -0.925 . . . . 0.0 111.299 170.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.44 -24.35 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.912 0.885 . . . . 0.0 112.467 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.12 -22.17 66.68 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.498 1.519 . . . . 0.0 114.031 174.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -79.14 49.09 0.92 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.945 1.698 . . . . 0.0 112.032 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -50.6 -47.71 58.03 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.682 1.193 . . . . 0.0 113.467 -169.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.16 -40.62 81.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.884 1.274 . . . . 0.0 112.463 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.98 -42.9 65.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.815 1.246 . . . . 0.0 111.53 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.8 mt -58.88 -44.37 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.125 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -62.21 -46.67 87.85 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.53 1.059 . . . . 0.0 112.291 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.3 0.7 OUTLIER -64.88 -34.18 77.78 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 178.304 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 64.7 mtm -69.24 -46.65 66.81 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.78 -0.575 . . . . 0.0 111.966 169.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -72.4 -21.57 61.25 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.326 -0.859 . . . . 0.0 112.511 -175.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.4 -26.34 67.79 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.297 -0.877 . . . . 0.0 112.696 169.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.5 p -73.39 -5.03 37.17 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.932 -1.105 . . . . 0.0 113.612 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.562 ' HB3' HD22 ' A' ' 40' ' ' LEU . 35.7 mtt -92.5 -5.14 52.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.294 1.438 . . . . 0.0 112.568 169.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.255 1.5 p . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 127.503 2.321 . . . . 0.0 114.843 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 41.8 t80 . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.96 -27.22 64.56 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.22 -45.55 92.83 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.534 -0.729 . . . . 0.0 111.03 170.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -64.07 -38.15 90.03 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 168.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -68.01 -37.18 81.12 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.016 0.526 . . . . 0.0 111.195 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.54 -45.55 92.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.237 1.015 . . . . 0.0 111.227 169.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -57.75 -36.79 72.58 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.014 1.326 . . . . 0.0 111.789 175.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -59.8 4.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.199 1.4 . . . . 0.0 112.142 175.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -82.22 -14.62 55.26 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 . . . . . 0 CA--C 1.545 0.763 0 O-C-N 121.197 -0.939 . . . . 0.0 111.191 167.499 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 121.621 0.724 . . . . 0.0 112.65 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.3 m -122.05 161.03 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 127.739 2.416 . . . . 0.0 112.409 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -108.42 88.78 5.3 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 124.454 1.102 . . . . 0.0 111.423 173.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -65.92 156.58 63.6 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.438 2.092 . . . . 0.0 112.589 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -55.4 148.34 33.38 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.076 0.95 . . . . 0.0 112.315 174.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -60.95 -31.06 91.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.844 2.363 . . . . 0.0 113.196 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.4 tp -66.28 -37.96 86.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.91 0.884 . . . . 0.0 112.53 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.5 tp -71.61 -44.79 63.78 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.949 0.9 . . . . 0.0 110.991 172.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.8 tp -56.67 -40.0 74.75 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.793 -0.567 . . . . 0.0 112.012 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.67 -37.02 77.65 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.456 -0.777 . . . . 0.0 112.826 172.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.57 -36.28 82.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.076 0.95 . . . . 0.0 112.175 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.8 -42.65 90.46 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.174 -0.954 . . . . 0.0 111.309 170.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -65.17 -23.07 67.0 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.076 1.509 . . . . 0.0 115.076 172.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 m -65.28 -16.83 63.98 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.958 0.799 . . . . 0.0 113.041 170.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.28 16.86 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.183 1.793 . . . . 0.0 112.843 168.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.53 22.22 58.8 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.416 1.326 . . . . 0.0 116.416 168.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.61 119.49 12.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.136 1.468 . . . . 0.0 111.498 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -71.51 -47.42 55.47 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -168.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -71.84 175.77 5.51 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.833 1.653 . . . . 0.0 113.27 -173.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -117.7 5.48 12.32 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.547 1.939 . . . . 0.0 114.898 168.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.27 138.81 35.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.132 2.173 . . . . 0.0 106.533 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -149.78 154.7 38.88 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -169.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -76.02 159.29 30.97 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.172 0.896 . . . . 0.0 112.966 165.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.8 mmt -57.85 -37.69 74.35 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 120.521 -1.362 . . . . 0.0 113.277 174.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -65.77 -39.99 91.57 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.421 1.088 . . . . 0.0 111.59 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.93 -46.04 83.28 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.414 1.007 . . . . 0.0 113.133 174.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.29 -50.31 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 118.589 0.632 . . . . 0.0 110.391 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.3 mt -59.72 -44.07 93.91 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.551 -0.737 . . . . 0.0 111.926 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -51.1 -56.04 14.65 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 173.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -60.69 -40.4 92.04 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 tp -63.44 -44.01 95.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.306 1.042 . . . . 0.0 111.94 173.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.9 97.82 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 121.368 -0.833 . . . . 0.0 112.504 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.97 -31.57 72.71 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.05 0.925 . . . . 0.0 112.583 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -66.98 -51.19 58.17 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 171.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.37 -40.51 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.918 1.287 . . . . 0.0 111.199 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.2 ttm -62.12 -56.67 16.49 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.251 1.42 . . . . 0.0 112.086 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -65.8 -33.69 76.43 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -77.83 -14.52 59.55 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.025 1.73 . . . . 0.0 113.846 172.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 52.88 45.27 29.1 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.591 2.356 . . . . 0.0 113.464 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.54 -10.07 59.19 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -62.63 148.88 44.97 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -67.82 129.84 41.14 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.17 -0.956 . . . . 0.0 112.106 167.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -59.49 -29.83 68.12 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.133 -0.979 . . . . 0.0 113.132 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -81.42 -62.34 1.68 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.057 0.943 . . . . 0.0 110.741 173.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -99.75 81.48 2.47 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.216 1.406 . . . . 0.0 110.487 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -66.94 -14.52 62.9 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.939 -1.101 . . . . 0.0 113.705 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -75.94 0.59 17.85 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.544 1.138 . . . . 0.0 113.185 169.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.8 mt -119.13 132.62 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.541 1.936 . . . . 0.0 110.103 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.6 t -110.54 127.57 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 126.114 1.766 . . . . 0.0 110.873 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.278 58.2 m-85 -98.09 71.42 2.13 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.673 1.989 . . . . 0.0 115.599 178.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.2 p -67.76 -4.02 11.15 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t -46.22 131.0 10.49 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.937 1.695 . . . . 0.0 113.751 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 59.92 0.12 0.25 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.22 168.56 13.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.632 1.173 . . . . 0.0 111.824 171.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.4 tp -51.04 -42.32 60.4 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.382 1.073 . . . . 0.0 111.236 168.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.42 -33.96 75.82 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.14 -29.49 73.0 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 123.701 0.667 . . . . 0.0 113.479 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.78 -28.31 62.52 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 171.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.15 -57.66 3.74 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.931 0.892 . . . . 0.0 111.875 170.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.302 23.9 m-85 -68.49 -25.53 65.02 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 117.458 2.392 . . . . 0.0 117.458 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.15 18.76 78.16 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.091 0.853 . . . . 0.0 114.82 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.44 155.66 69.85 Favored Pre-proline 0 N--CA 1.479 0.98 0 C-N-CA 125.902 1.681 . . . . 0.0 109.936 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.85 -26.04 22.9 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.119 2.546 . . . . 0.0 113.305 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.7 p -160.87 161.94 31.98 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.568 1.147 . . . . 0.0 112.804 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -150.76 157.25 42.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.822 1.249 . . . . 0.0 107.846 172.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.5 p -99.56 135.8 40.44 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.255 -0.903 . . . . 0.0 112.105 172.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.94 -30.28 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.348 1.059 . . . . 0.0 113.168 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -61.43 -32.15 72.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.147 1.379 . . . . 0.0 112.649 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -81.38 71.23 8.38 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 124.037 1.875 . . . . 0.0 112.585 170.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -56.61 -48.19 78.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.58 -2.1 . . . . 0.0 111.284 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -57.27 -38.32 73.71 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.799 1.64 . . . . 0.0 113.413 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -68.72 -40.65 79.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.375 1.07 . . . . 0.0 110.888 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.59 -52.04 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 119.239 -0.41 . . . . 0.0 110.414 171.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -53.45 -44.52 68.96 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.254 1.2 t -63.91 -36.41 83.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 173.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 76.9 mtm -71.32 -40.0 71.04 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.492 -0.755 . . . . 0.0 112.7 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.2 mmm -65.31 -33.86 76.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.312 1.045 . . . . 0.0 112.122 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.25 85.26 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.312 0.645 . . . . 0.0 111.998 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.5 m -66.93 -19.16 65.68 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 40.7 mtt -83.97 -5.31 59.2 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.26 1.0 OUTLIER . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 118.74 2.866 . . . . 0.0 118.74 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -66.06 -39.33 90.0 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -168.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -65.82 -13.17 58.99 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -86.54 -46.76 9.85 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 167.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -67.02 -31.02 71.28 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.229 1.012 . . . . 0.0 112.189 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.78 -29.96 63.16 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.123 -0.985 . . . . 0.0 112.487 172.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -70.98 -24.57 62.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.432 1.093 . . . . 0.0 113.076 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.05 -50.13 67.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.336 0.516 . . . . 0.0 111.372 169.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.5 ptp -73.23 -30.55 63.56 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.437 0.562 . . . . 0.0 111.873 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 N--CA 1.473 0.704 0 C-N-CA 124.589 1.156 . . . . 0.0 111.678 171.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.424 HG23 ' HD3' ' A' ' 36' ' ' PRO . 2.6 m -133.86 158.87 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 127.723 2.409 . . . . 0.0 111.746 169.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.72 92.98 26.52 Favored Pre-proline 0 N--CA 1.472 0.641 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 169.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' HG23 ' A' ' 34' ' ' VAL . 55.4 Cg_endo -69.31 173.31 10.76 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.319 2.679 . . . . 0.0 113.972 -173.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 19.0 ptpt -60.65 150.92 73.59 Favored Pre-proline 0 N--CA 1.481 1.086 0 C-N-CA 124.181 0.992 . . . . 0.0 111.934 173.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -63.85 -28.33 67.48 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.936 2.424 . . . . 0.0 114.144 -175.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.92 -35.01 77.14 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.815 0.734 . . . . 0.0 112.197 171.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 tp -76.31 -43.45 41.28 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 122.863 0.465 . . . . 0.0 110.441 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.81 -42.99 76.47 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.388 0.54 . . . . 0.0 111.864 172.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -57.83 -42.68 84.85 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.146 0.978 . . . . 0.0 112.52 171.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.96 -42.2 85.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.144 0.978 . . . . 0.0 111.701 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.2 mt -64.44 -41.96 96.26 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.417 1.087 . . . . 0.0 110.498 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.64 -22.78 62.47 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.9 m -64.19 -20.24 65.88 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.9 m -110.52 15.62 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.916 1.686 . . . . 0.0 113.232 168.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.93 29.31 34.94 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.042 1.306 . . . . 0.0 115.893 168.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.51 138.08 53.05 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.203 1.501 . . . . 0.0 111.214 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -102.08 -13.03 17.67 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 116.272 1.952 . . . . 0.0 116.272 -167.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -91.94 163.01 14.17 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.528 1.131 . . . . 0.0 112.806 -169.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -97.61 -5.03 36.38 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.967 1.707 . . . . 0.0 115.35 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -152.37 150.13 29.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.42 1.888 . . . . 0.0 106.104 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.39 149.77 43.06 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -171.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.255 0.7 OUTLIER -77.1 155.14 32.63 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 166.128 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 84.2 mmm -59.12 -34.05 71.58 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.78 -1.2 . . . . 0.0 112.464 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -73.8 -35.24 64.88 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.863 0.865 . . . . 0.0 112.789 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -62.46 -43.96 97.55 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.113 0.87 . . . . 0.0 112.397 169.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.58 -50.76 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.859 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -55.16 -45.23 75.68 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.415 1.007 . . . . 0.0 111.929 175.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -53.88 -57.37 11.17 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 173.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -63.94 -40.36 96.28 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.97 -42.21 97.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.885 1.274 . . . . 0.0 111.427 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.16 -44.87 97.58 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 123.35 0.5 . . . . 0.0 112.423 173.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -62.89 -32.76 74.09 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.774 1.23 . . . . 0.0 112.545 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -65.88 -54.32 28.12 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 171.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.32 -39.12 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.488 1.115 . . . . 0.0 111.14 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.9 ttm -61.9 -57.42 11.82 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.582 1.553 . . . . 0.0 112.03 173.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.33 -35.18 79.72 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -74.8 -14.25 60.67 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.798 1.639 . . . . 0.0 113.367 172.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 53.16 45.81 27.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.105 2.162 . . . . 0.0 113.641 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.1 mt -78.11 -5.19 50.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.49 1.116 . . . . 0.0 113.982 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -69.32 147.5 51.04 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -64.28 133.67 53.19 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -66.81 -26.97 67.19 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.146 -0.971 . . . . 0.0 113.243 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -84.0 -54.54 4.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.914 1.286 . . . . 0.0 111.56 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.12 100.39 9.94 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.837 1.255 . . . . 0.0 111.385 172.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -60.3 -21.79 62.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.836 0.854 . . . . 0.0 113.25 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -87.32 -2.38 58.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.881 1.673 . . . . 0.0 113.998 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.96 135.71 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 119.956 1.253 . . . . 0.0 109.841 174.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 p -114.98 135.46 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.211 1.404 . . . . 0.0 110.361 176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.256 46.0 m-85 -99.53 97.54 8.53 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.162 1.785 . . . . 0.0 115.05 174.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.5 m -77.65 -21.51 52.06 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.181 1.393 . . . . 0.0 112.409 -176.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.0 p -58.89 150.69 23.53 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.954 1.301 . . . . 0.0 113.543 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 59.14 17.34 5.52 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.96 1.704 . . . . 0.0 115.114 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -137.37 165.76 25.45 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.571 1.548 . . . . 0.0 112.162 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.1 tp -49.37 -36.58 22.04 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.301 1.44 . . . . 0.0 112.204 169.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.0 tp -55.03 -35.18 64.17 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.16 -32.52 84.21 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.048 0.833 . . . . 0.0 113.57 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.01 -26.12 61.21 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.83 -60.44 2.23 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.811 0.845 . . . . 0.0 111.302 169.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.284 44.2 m-85 -74.74 -24.0 58.65 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 118.54 2.792 . . . . 0.0 118.54 -173.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.86 15.91 74.17 Favored Glycine 0 CA--C 1.54 1.626 0 N-CA-C 114.79 0.676 . . . . 0.0 114.79 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.44 153.9 74.87 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 126.28 1.832 . . . . 0.0 109.011 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.47 -28.07 22.3 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.223 2.615 . . . . 0.0 113.334 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.2 p -166.09 162.7 17.96 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.253 1.421 . . . . 0.0 112.185 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -154.76 159.23 40.51 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.224 0.61 . . . . 0.0 111.977 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.9 t -87.15 125.8 34.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.518 0.727 . . . . 0.0 110.415 168.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.0 -22.84 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.952 1.701 . . . . 0.0 112.386 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -69.42 -12.88 62.03 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 171.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -77.1 49.76 0.7 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.739 1.215 . . . . 0.0 111.588 173.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -53.27 -43.59 67.57 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.708 1.203 . . . . 0.0 112.692 -169.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -58.93 -34.61 71.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.478 1.111 . . . . 0.0 113.806 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -75.58 -45.99 34.49 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.37 1.068 . . . . 0.0 110.763 173.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.47 -42.83 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.278 0.631 . . . . 0.0 110.831 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -57.57 -44.9 85.65 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.311 1.0 OUTLIER -67.34 -34.91 78.31 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 173.293 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.1 mtm -65.8 -40.07 91.56 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.225 -0.922 . . . . 0.0 112.378 170.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.5 mmm -65.34 -40.83 94.16 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.102 0.961 . . . . 0.0 111.892 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.22 81.64 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.602 0.761 . . . . 0.0 112.542 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.2 t -60.92 -34.83 75.29 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.089 -1.007 . . . . 0.0 112.637 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.4 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 35.1 mtt -69.08 -9.69 53.87 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -179.311 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 118.648 2.833 . . . . 0.0 118.648 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -61.42 -30.36 70.52 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.52 -19.63 65.83 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.108 -0.995 . . . . 0.0 113.299 176.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -87.43 -43.43 12.09 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 167.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -65.68 -34.48 78.3 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.497 1.119 . . . . 0.0 112.042 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.14 -32.91 64.7 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.195 0.998 . . . . 0.0 112.69 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -72.38 -20.26 61.48 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.593 1.157 . . . . 0.0 112.877 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.58 -47.07 80.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.229 0.468 . . . . 0.0 110.347 168.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 19.0 mtm -76.88 -35.71 57.24 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.323 0.649 . . . . 0.0 111.973 -174.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 N--CA 1.476 0.837 0 C-N-CA 124.422 1.089 . . . . 0.0 113.468 169.341 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.8 -21.44 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -175.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 51.79 83.29 0.23 Allowed Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 127.513 2.325 . . . . 0.0 112.713 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.63 163.2 33.83 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.83 2.353 . . . . 0.0 113.262 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -54.14 142.12 48.38 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.831 2.052 . . . . 0.0 111.576 172.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -55.4 -34.1 87.92 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.102 2.535 . . . . 0.0 114.963 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.4 -34.36 77.78 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.84 0.856 . . . . 0.0 112.874 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.4 tp -74.44 -42.85 58.41 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.14 0.976 . . . . 0.0 110.912 172.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.64 HD11 ' HE2' ' A' ' 45' ' ' LYS . 53.8 tp -56.59 -37.87 71.23 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.6 0.76 . . . . 0.0 112.297 174.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -60.25 -36.6 78.15 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.567 1.147 . . . . 0.0 112.956 171.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -47.06 86.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.247 1.019 . . . . 0.0 110.459 173.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.79 -40.69 97.27 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.505 -0.747 . . . . 0.0 111.531 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.64 ' HE2' HD11 ' A' ' 41' ' ' LEU . 57.1 mttm -70.7 -20.73 62.65 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 176.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.0 m -66.42 -17.88 65.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.739 0.815 . . . . 0.0 112.374 168.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.6 m -113.99 15.98 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.153 1.781 . . . . 0.0 113.268 168.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.93 25.24 46.04 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 116.959 1.544 . . . . 0.0 116.959 168.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.0 119.11 10.15 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.418 1.609 . . . . 0.0 111.255 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -75.29 -43.39 51.38 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -167.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -68.84 174.33 4.49 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.815 1.646 . . . . 0.0 113.003 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -112.37 1.54 16.07 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.498 1.919 . . . . 0.0 115.763 169.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -138.29 140.32 39.53 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.1 1.76 . . . . 0.0 106.961 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -143.81 155.58 44.19 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -171.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -85.48 159.79 19.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.519 1.128 . . . . 0.0 114.006 167.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.6 mtp -57.69 -36.79 72.44 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.046 1.294 . . . . 0.0 112.8 176.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.46 -42.31 92.46 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.914 1.286 . . . . 0.0 111.592 172.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.58 -41.66 92.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.252 0.933 . . . . 0.0 113.207 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.71 -51.91 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.858 0.863 . . . . 0.0 109.996 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.1 mt -58.48 -43.83 89.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.476 0.71 . . . . 0.0 111.346 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -52.63 -55.72 20.46 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 175.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -64.16 -38.43 91.03 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 175.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -64.44 -40.78 96.38 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.066 0.946 . . . . 0.0 111.553 173.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.66 -43.34 99.39 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 121.616 -0.677 . . . . 0.0 112.235 172.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -61.39 -33.9 74.44 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.363 1.082 . . . . 0.0 113.273 171.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -67.68 -50.34 58.2 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.8 mt -60.63 -38.58 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.509 1.124 . . . . 0.0 111.13 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 44.2 ttm -61.61 -58.22 8.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.288 1.435 . . . . 0.0 111.966 172.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -64.99 -32.5 74.26 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -177.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -81.72 -14.51 56.43 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.809 1.644 . . . . 0.0 114.232 173.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 51.88 48.4 22.87 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.135 2.174 . . . . 0.0 113.513 -174.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.86 -8.12 56.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -64.49 147.92 51.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 172.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -60.33 130.71 47.99 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 171.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.47 -26.17 65.03 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -87.11 -68.95 0.71 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.714 1.206 . . . . 0.0 111.813 170.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -88.8 99.76 12.62 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.672 0.789 . . . . 0.0 111.402 -177.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -64.67 -19.66 65.85 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.506 -0.746 . . . . 0.0 112.424 -175.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -89.51 10.35 23.16 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.198 1.799 . . . . 0.0 114.223 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.0 mt -126.0 136.2 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.996 1.271 . . . . 0.0 109.906 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.09 139.8 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.919 1.688 . . . . 0.0 112.986 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -122.6 125.92 46.65 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.064 2.146 . . . . 0.0 114.455 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.5 t -158.68 106.44 1.88 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.85 0.86 . . . . 0.0 110.395 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.2 p -121.48 151.45 40.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.563 1.545 . . . . 0.0 111.59 169.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.79 25.63 8.6 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.728 1.611 . . . . 0.0 115.214 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -143.65 168.68 19.31 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.721 1.608 . . . . 0.0 108.754 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.1 tp -50.06 -51.05 45.63 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.66 1.584 . . . . 0.0 114.742 -168.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.51 -34.03 77.31 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.267 0.94 . . . . 0.0 113.444 -175.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.77 -33.79 86.44 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 123.598 0.618 . . . . 0.0 112.848 171.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -71.79 -30.46 65.56 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 171.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.25 -56.87 6.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.394 0.677 . . . . 0.0 111.662 169.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.281 32.6 m-85 -69.17 -26.05 64.66 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 117.526 2.417 . . . . 0.0 117.526 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.36 16.18 77.24 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.905 0.764 . . . . 0.0 114.431 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.68 151.09 62.3 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 126.236 1.814 . . . . 0.0 109.16 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.8 -22.11 24.06 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.557 2.838 . . . . 0.0 113.314 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.3 p -161.05 160.92 31.09 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.931 1.292 . . . . 0.0 112.879 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -157.22 155.95 31.74 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.165 0.986 . . . . 0.0 110.471 173.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -87.33 128.43 35.18 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.125 0.97 . . . . 0.0 112.167 170.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.81 -37.23 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.627 1.571 . . . . 0.0 112.514 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.33 -24.87 62.19 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.544 1.138 . . . . 0.0 113.024 -178.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -77.7 56.5 1.49 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.221 1.408 . . . . 0.0 111.514 172.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -49.98 -40.35 43.85 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.398 1.479 . . . . 0.0 114.293 -168.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -50.42 -42.35 53.71 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.299 1.44 . . . . 0.0 114.132 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -73.28 -31.11 63.87 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.569 1.148 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.7 mt -72.11 -45.97 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.825 -0.547 . . . . 0.0 110.821 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -56.12 -46.33 79.2 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.4 t -61.63 -38.05 86.22 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 174.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 74.2 mtm -72.73 -43.23 63.21 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.335 0.654 . . . . 0.0 112.037 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.1 mmm -63.41 -40.22 96.61 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.956 0.902 . . . . 0.0 111.728 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.23 86.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.037 0.535 . . . . 0.0 111.919 173.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.5 m -70.76 -11.56 61.02 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 40.0 mtt -84.84 -4.18 58.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.241 1.016 . . . . 0.0 113.699 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.251 1.1 p . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -176.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -63.97 -27.07 68.88 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -65.98 -36.18 82.62 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.011 -1.056 . . . . 0.0 111.697 173.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -68.0 -40.02 83.1 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 168.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -73.42 -36.59 66.0 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.972 0.509 . . . . 0.0 112.057 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 19.4 tp -59.85 -31.26 69.6 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.459 -1.401 . . . . 0.0 112.182 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -67.38 -18.68 65.23 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.609 1.563 . . . . 0.0 112.884 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.4 mt -75.32 -49.59 18.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.394 1.078 . . . . 0.0 111.727 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.2 ptp -72.04 -23.57 61.4 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.825 0.739 . . . . 0.0 111.926 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 . . . . . 0 CA--C 1.546 0.82 0 C-N-CA 125.962 1.705 . . . . 0.0 111.487 167.442 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 121.521 0.676 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.7 m -126.81 159.42 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 127.459 2.304 . . . . 0.0 112.281 169.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.97 90.86 5.71 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 124.663 1.185 . . . . 0.0 110.078 172.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.56 145.62 87.67 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.685 2.256 . . . . 0.0 111.857 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 15.7 ptpt -61.87 157.71 48.16 Favored Pre-proline 0 N--CA 1.479 1.014 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.925 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -54.67 -37.44 91.32 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.127 2.551 . . . . 0.0 115.255 -172.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.31 -44.14 97.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.574 0.749 . . . . 0.0 112.216 175.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.1 tp -70.35 -46.38 64.24 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 123.499 0.72 . . . . 0.0 110.157 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.568 HD11 ' HE2' ' A' ' 45' ' ' LYS . 44.2 tp -56.68 -42.27 78.75 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.819 -0.55 . . . . 0.0 112.098 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -62.0 -39.26 91.62 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.0 112.823 171.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.93 -42.94 94.25 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.103 0.961 . . . . 0.0 111.485 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.87 -46.16 86.19 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.546 1.138 . . . . 0.0 110.671 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.568 ' HE2' HD11 ' A' ' 41' ' ' LEU . 44.4 mttm -66.59 -22.99 66.13 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.5 m -64.03 -19.2 65.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.967 0.803 . . . . 0.0 113.127 170.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.7 m -113.41 19.8 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.805 1.642 . . . . 0.0 112.911 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.02 34.78 32.56 Favored Glycine 0 CA--C 1.532 1.141 0 N-CA-C 116.031 1.172 . . . . 0.0 116.031 168.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.33 -21.24 64.76 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 118.966 1.383 . . . . 0.0 114.077 -177.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 65.71 -47.4 0.39 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 129.222 3.009 . . . . 0.0 117.769 170.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -69.12 173.06 5.92 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.151 1.38 . . . . 0.0 113.714 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -101.66 -10.11 20.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.708 1.603 . . . . 0.0 114.659 169.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -146.4 143.85 29.33 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.998 1.719 . . . . 0.0 106.984 -171.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -147.56 154.9 41.29 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -168.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -76.42 157.22 32.47 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 165.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.8 mmm -60.53 -30.72 69.92 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.488 -1.382 . . . . 0.0 112.946 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -66.32 -44.36 83.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.608 1.163 . . . . 0.0 111.224 173.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.57 -42.57 95.54 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.187 0.995 . . . . 0.0 112.765 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.13 -49.77 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 118.568 -0.729 . . . . 0.0 109.46 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.4 mt -60.04 -43.28 95.45 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.27 0.941 . . . . 0.0 111.756 176.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.87 -56.7 17.44 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -65.55 -38.73 90.44 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.69 -45.71 92.82 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.305 1.042 . . . . 0.0 111.174 173.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.02 99.98 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 123.624 0.63 . . . . 0.0 113.271 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -64.95 -32.97 74.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.934 1.294 . . . . 0.0 112.51 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -65.91 -50.47 64.35 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 170.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.68 -39.92 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.756 1.222 . . . . 0.0 111.099 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.8 ttm -62.95 -58.74 6.32 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.707 1.603 . . . . 0.0 112.073 173.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.35 -33.36 75.56 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -174.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.17 -1.03 42.98 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.208 1.403 . . . . 0.0 113.785 171.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 53.07 38.4 27.27 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 127.598 2.359 . . . . 0.0 113.339 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.4 mt -71.19 -10.35 59.6 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -172.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -66.88 146.96 53.85 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 169.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -66.62 130.85 44.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 -59.18 -26.92 65.21 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -84.05 -65.14 1.04 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.362 1.065 . . . . 0.0 111.39 172.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -99.86 88.14 3.7 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.223 1.009 . . . . 0.0 110.655 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -67.17 -11.51 57.52 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -82.53 -0.19 45.48 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.123 1.369 . . . . 0.0 113.634 169.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.0 mt -111.83 126.0 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.418 1.487 . . . . 0.0 109.661 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.1 t -97.29 131.59 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.591 1.556 . . . . 0.0 109.71 175.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -98.62 134.34 41.69 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.71 1.604 . . . . 0.0 114.043 168.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.1 p -145.3 18.85 1.56 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -169.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 p -59.3 105.39 0.34 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.687 1.195 . . . . 0.0 113.315 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.27 0.9 OUTLIER 53.36 13.79 0.47 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 128.919 2.888 . . . . 0.0 117.734 176.25 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.312 11.3 p30 -99.27 59.37 1.13 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.87 1.668 . . . . 0.0 114.662 175.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.8 tp 62.86 -53.38 0.17 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 128.859 2.864 . . . . 0.0 114.727 -172.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.11 -34.0 74.27 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -172.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.71 -24.97 74.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 121.523 -0.736 . . . . 0.0 114.201 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -71.15 -27.98 63.94 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.736 1.268 . . . . 0.0 113.871 170.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.34 -59.46 2.77 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.175 0.99 . . . . 0.0 112.077 169.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.314 32.5 m-85 -69.26 -21.64 63.89 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.39 16.68 80.47 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.366 0.984 . . . . 0.0 114.906 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 m -143.26 154.96 61.51 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 125.789 1.636 . . . . 0.0 110.164 -175.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.88 -21.26 16.34 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.833 3.022 . . . . 0.0 113.63 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.9 p -164.61 161.75 21.15 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.59 1.556 . . . . 0.0 111.865 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -155.33 154.7 32.46 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.018 0.927 . . . . 0.0 111.164 172.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.6 t -87.13 127.79 35.13 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.591 -0.693 . . . . 0.0 111.351 169.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.22 -22.69 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.793 1.637 . . . . 0.0 112.815 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.93 -22.69 66.95 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.314 1.446 . . . . 0.0 113.831 173.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -81.9 52.29 1.92 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.302 1.441 . . . . 0.0 111.961 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -50.71 -46.65 59.04 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.623 1.569 . . . . 0.0 114.514 -169.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -69.17 -30.06 68.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -72.8 -44.74 61.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.415 0.686 . . . . 0.0 110.384 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.9 mt -56.98 -46.44 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.382 174.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -49.67 -50.67 42.62 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.29 1.0 OUTLIER -67.12 -38.02 84.88 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.308 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.7 mtm -67.26 -38.35 84.99 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.597 -0.69 . . . . 0.0 112.001 174.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -80.21 -30.73 38.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.574 1.15 . . . . 0.0 112.212 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.15 77.36 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.137 -0.977 . . . . 0.0 111.381 169.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.2 m -67.68 -5.44 15.88 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 173.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.416 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 44.8 mtt -89.61 -13.8 36.38 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.399 1.079 . . . . 0.0 113.557 170.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -172.201 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 19.2 t80 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -66.31 -27.93 68.29 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.16 -36.63 84.84 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.957 -1.089 . . . . 0.0 112.075 173.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -69.94 -41.16 74.94 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -71.88 -35.24 69.7 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.902 0.881 . . . . 0.0 111.941 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 17.3 tp -62.07 -30.63 71.13 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.647 -1.283 . . . . 0.0 112.181 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -68.29 -16.3 63.9 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.623 1.169 . . . . 0.0 113.178 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.31 -56.78 5.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.345 0.658 . . . . 0.0 109.896 167.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.2 ptp -71.95 -24.0 61.54 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -174.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 125.69 1.596 . . . . 0.0 113.617 173.17 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 CA--C 1.541 0.617 0 CA-C-O 120.721 0.296 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 m -106.54 -24.68 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 47.02 74.36 0.83 Allowed Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.211 2.204 . . . . 0.0 112.754 -172.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.38 170.1 20.71 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.164 2.576 . . . . 0.0 112.99 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -58.5 148.93 63.49 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 123.931 0.892 . . . . 0.0 112.219 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -62.6 -25.77 75.56 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.029 2.486 . . . . 0.0 113.582 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 tp -61.12 -35.74 77.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.921 0.888 . . . . 0.0 112.264 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -77.26 -41.06 42.49 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.154 0.582 . . . . 0.0 111.714 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.3 tp -53.93 -40.28 66.62 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.978 0.511 . . . . 0.0 111.537 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.52 -40.56 91.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.898 0.879 . . . . 0.0 113.078 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.68 -43.71 92.67 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.02 0.928 . . . . 0.0 111.987 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.79 -42.24 95.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.53 0.732 . . . . 0.0 110.501 177.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -70.12 -21.25 63.13 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.609 -1.307 . . . . 0.0 114.41 176.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.6 m -64.36 -21.07 66.5 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.951 0.796 . . . . 0.0 112.842 169.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 m -108.43 15.69 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 125.841 1.657 . . . . 0.0 113.335 168.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.25 33.49 39.84 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.845 1.212 . . . . 0.0 114.78 170.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.49 135.9 54.9 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 118.67 1.235 . . . . 0.0 110.681 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -83.46 -3.66 57.8 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.249 2.685 . . . . 0.0 118.249 -165.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -130.37 175.57 8.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.381 1.472 . . . . 0.0 113.714 -169.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -107.2 -1.02 22.27 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.225 1.81 . . . . 0.0 115.293 168.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 p -143.4 144.22 31.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.524 1.93 . . . . 0.0 107.038 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -145.36 157.48 44.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.909 1.284 . . . . 0.0 113.981 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -83.47 161.13 21.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.441 1.096 . . . . 0.0 113.714 167.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 29.5 mtp -58.4 -35.58 72.24 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.789 -1.194 . . . . 0.0 112.801 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -65.09 -45.53 84.83 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.493 1.117 . . . . 0.0 111.283 174.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.9 -41.27 95.73 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.106 0.962 . . . . 0.0 112.911 177.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.34 -48.13 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.425 -0.798 . . . . 0.0 109.642 175.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.3 mt -58.31 -45.59 87.72 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.644 1.111 . . . . 0.0 111.303 175.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -53.82 -52.6 59.84 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 116.307 1.965 . . . . 0.0 116.307 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -71.96 -34.6 69.12 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.8 tp -65.24 -41.57 94.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.185 0.994 . . . . 0.0 111.569 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.1 99.74 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 121.614 -0.679 . . . . 0.0 112.621 172.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -62.07 -35.67 79.35 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.129 0.964 . . . . 0.0 113.329 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -66.21 -48.28 71.12 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.519 0.6 . . . . 0.0 112.405 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.7 mt -60.2 -38.64 78.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.262 1.025 . . . . 0.0 111.433 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.9 mtm -63.6 -56.49 15.48 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 172.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -63.13 -32.53 73.94 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -80.73 -17.94 49.42 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.79 1.636 . . . . 0.0 114.467 173.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 50.96 49.83 20.35 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.013 2.125 . . . . 0.0 113.296 -172.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.9 mt -73.79 -10.38 59.61 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -66.68 151.51 47.24 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 173.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.69 134.21 53.75 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 170.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -65.43 -27.86 68.82 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -81.42 -45.19 16.42 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.177 0.991 . . . . 0.0 111.587 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -129.67 100.28 5.45 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.126 1.37 . . . . 0.0 112.722 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -66.12 -15.7 63.33 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -73.94 -2.63 24.81 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 172.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.7 mt -116.82 135.16 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.642 1.577 . . . . 0.0 109.632 177.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.78 134.64 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.72 1.608 . . . . 0.0 110.538 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.277 65.1 m-85 -109.71 65.1 0.61 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 127.248 2.219 . . . . 0.0 115.374 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 p -70.88 -0.86 10.06 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 -172.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.4 t -51.82 143.7 12.71 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.316 1.846 . . . . 0.0 114.819 -175.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 56.08 26.74 10.46 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.459 1.904 . . . . 0.0 115.029 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -143.46 173.45 11.62 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.95 1.3 . . . . 0.0 108.624 -178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.3 tp -54.74 -40.52 69.4 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.571 1.548 . . . . 0.0 113.466 -172.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.33 -35.98 76.48 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 178.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.44 -36.02 92.08 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 121.65 -0.656 . . . . 0.0 112.346 173.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.77 -31.0 71.35 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 170.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.8 mt -75.75 -58.0 3.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.967 1.307 . . . . 0.0 112.637 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -70.21 -21.07 63.06 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.49 20.91 76.21 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.484 1.04 . . . . 0.0 114.774 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.37 153.4 65.97 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 125.323 1.449 . . . . 0.0 110.732 -176.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -73.34 -26.42 14.47 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.512 2.808 . . . . 0.0 113.454 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.9 p -162.2 160.35 26.93 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.807 1.243 . . . . 0.0 112.186 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -157.19 157.68 34.83 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.255 1.022 . . . . 0.0 109.904 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -91.63 130.36 37.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.946 0.898 . . . . 0.0 111.367 169.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.69 -26.74 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.566 1.146 . . . . 0.0 112.478 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -70.3 -16.24 62.99 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.49 1.116 . . . . 0.0 113.263 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -77.03 52.29 0.87 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.624 -1.297 . . . . 0.0 111.612 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -53.07 -45.78 68.28 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.315 1.446 . . . . 0.0 112.637 -171.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 ttm105 -58.78 -38.55 78.77 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.155 1.382 . . . . 0.0 112.972 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -69.24 -47.94 63.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.205 1.002 . . . . 0.0 110.906 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.9 mt -56.63 -45.99 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.256 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -57.33 -40.92 78.97 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.301 1.0 OUTLIER -73.9 -38.97 64.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 175.581 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 59.9 mtm -64.74 -36.66 85.03 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.353 -0.842 . . . . 0.0 112.158 172.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -34.8 57.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.266 1.026 . . . . 0.0 111.543 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.9 73.12 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.215 -0.928 . . . . 0.0 112.783 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.1 m -63.54 -14.63 53.15 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 55.8 mtt -77.94 -4.85 48.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.705 1.202 . . . . 0.0 114.004 173.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.372 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -174.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 98.3 mmm . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 119.009 -0.52 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -67.91 160.04 50.24 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.428 2.752 . . . . 0.0 112.729 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -128.21 2.56 5.78 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -45.0 -49.16 11.42 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 117.376 2.361 . . . . 0.0 117.376 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -66.19 -28.57 68.86 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -64.49 -35.41 80.86 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.217 -0.927 . . . . 0.0 111.365 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -71.14 -43.37 67.71 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 169.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -66.28 -35.49 80.52 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.05 0.94 . . . . 0.0 111.655 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 39.1 tp -58.55 -32.31 68.77 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.042 -1.036 . . . . 0.0 112.539 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -72.4 -17.0 61.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.208 1.003 . . . . 0.0 113.553 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.69 -46.64 68.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.286 0.948 . . . . 0.0 110.088 167.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.2 mtm -78.27 -39.97 38.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.301 0.64 . . . . 0.0 111.341 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -90.39 41.03 1.03 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.667 1.987 . . . . 0.0 110.7 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -117.23 -127.15 3.87 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.425 1.964 . . . . 0.0 113.415 -172.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.93 -162.48 54.42 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.36 0.981 . . . . 0.0 113.672 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.11 -125.75 36.89 Favored Glycine 0 CA--C 1.532 1.137 0 O-C-N 121.9 -0.765 . . . . 0.0 112.017 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -61.74 -14.99 37.04 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.976 1.31 . . . . 0.0 114.253 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -75.77 -10.84 59.77 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.301 1.041 . . . . 0.0 113.753 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.0 tp -65.2 153.55 40.66 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.849 1.259 . . . . 0.0 112.545 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -58.78 145.74 39.51 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 117.552 2.427 . . . . 0.0 117.552 171.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.3 66.9 m-85 -109.22 -2.86 17.67 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 117.607 2.447 . . . . 0.0 117.607 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -142.97 163.34 33.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.794 2.037 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.86 -110.34 3.03 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 123.837 0.732 . . . . 0.0 112.188 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 53.0 mtt -65.3 150.36 48.39 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.995 0.918 . . . . 0.0 113.048 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.9 p -76.21 163.58 26.92 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.808 1.243 . . . . 0.0 112.853 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.59 129.97 81.21 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.469 1.108 . . . . 0.0 110.825 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -66.15 142.12 66.12 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.037 2.492 . . . . 0.0 113.202 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.63 152.39 42.3 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.99 151.51 21.87 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 169.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.39 -134.37 1.73 Allowed Glycine 0 CA--C 1.532 1.118 0 C-N-CA 123.539 0.59 . . . . 0.0 113.966 -173.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 57.24 -91.54 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.481 2.312 . . . . 0.0 113.964 -173.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.329 0.6 OUTLIER 55.93 26.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -170.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 p -79.04 159.73 27.45 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.79 2.036 . . . . 0.0 109.225 -174.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 t -63.84 157.5 24.42 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -149.03 27.31 0.86 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.519 1.527 . . . . 0.0 111.845 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -69.38 -15.35 63.29 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -143.33 153.04 58.83 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 126.567 1.947 . . . . 0.0 110.599 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.35 -12.9 37.5 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.295 2.664 . . . . 0.0 114.434 -174.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.58 -14.23 62.41 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 m -63.74 134.72 55.84 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.198 0.908 . . . . 0.0 113.246 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -148.41 -6.67 0.41 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.911 1.684 . . . . 0.0 112.987 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -69.45 157.33 37.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.605 1.962 . . . . 0.0 114.102 -171.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -144.52 -169.21 3.1 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.087 2.155 . . . . 0.0 109.91 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.15 130.94 23.32 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.734 2.124 . . . . 0.0 116.734 177.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.6 mt -80.56 149.11 30.07 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.95 0.9 . . . . 0.0 112.343 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 113' ' ' THR . 1.4 m -133.88 163.99 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 127.319 2.247 . . . . 0.0 113.147 177.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.3 87.25 3.91 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 125.128 1.371 . . . . 0.0 112.225 173.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -66.11 148.13 84.89 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.719 2.28 . . . . 0.0 112.637 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -50.69 150.22 5.24 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 124.788 1.235 . . . . 0.0 113.149 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -56.16 -34.96 94.55 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.08 2.52 . . . . 0.0 113.638 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.11 -35.99 80.38 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.739 1.216 . . . . 0.0 112.557 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 tp -79.39 -41.1 28.5 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.877 0.871 . . . . 0.0 111.78 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.8 tp -55.93 -39.95 72.41 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.806 0.842 . . . . 0.0 111.807 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -55.85 -43.98 77.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.333 1.053 . . . . 0.0 112.604 169.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.22 -43.77 81.19 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.074 0.95 . . . . 0.0 111.866 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.71 -42.49 97.34 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.706 0.802 . . . . 0.0 110.616 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -72.24 -22.63 61.21 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.786 -1.196 . . . . 0.0 114.18 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -64.73 -22.93 67.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.653 0.781 . . . . 0.0 112.828 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.9 m -105.67 13.05 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.738 1.615 . . . . 0.0 113.35 168.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.74 29.88 30.99 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.967 1.27 . . . . 0.0 115.851 169.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.92 134.52 49.67 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 119.12 1.46 . . . . 0.0 111.434 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.59 -41.38 14.33 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -168.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -77.79 175.63 9.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.067 1.347 . . . . 0.0 114.228 -169.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -109.52 -23.79 11.32 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.142 1.777 . . . . 0.0 114.82 167.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 147.43 39.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.695 1.998 . . . . 0.0 106.326 169.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -140.15 151.36 45.22 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -75.49 155.42 36.2 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 165.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.49 -38.02 76.77 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.864 -1.147 . . . . 0.0 112.307 173.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -67.69 -37.21 81.98 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.72 -46.01 90.09 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.871 1.214 . . . . 0.0 112.805 172.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.0 -51.03 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 122.947 0.499 . . . . 0.0 110.263 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.4 mt -58.51 -43.81 89.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.187 0.595 . . . . 0.0 112.087 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -54.58 -56.63 16.93 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -63.03 -39.99 96.4 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.42 -41.48 98.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.941 0.896 . . . . 0.0 111.57 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.72 -42.93 99.82 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.843 0.735 . . . . 0.0 112.55 172.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.09 -34.08 74.37 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.623 1.212 . . . . 0.0 113.316 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -68.73 -49.24 60.38 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.882 0.765 . . . . 0.0 111.98 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.4 mt -57.84 -42.23 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.413 1.085 . . . . 0.0 110.952 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 33.2 ttm -59.99 -56.21 24.51 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.83 1.652 . . . . 0.0 111.868 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.23 -35.32 80.12 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -76.8 -12.18 59.94 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.382 1.473 . . . . 0.0 114.374 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 54.53 43.06 30.87 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.058 1.743 . . . . 0.0 113.68 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.9 mt -76.77 -13.19 60.04 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -66.72 147.35 53.37 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -65.45 130.99 45.27 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.446 -0.784 . . . . 0.0 112.548 169.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -59.99 -30.76 69.34 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.282 -0.886 . . . . 0.0 112.748 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -83.15 -64.64 1.13 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.397 1.079 . . . . 0.0 111.375 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -88.2 84.45 6.89 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.045 0.938 . . . . 0.0 110.474 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -60.02 -21.43 61.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.736 1.215 . . . . 0.0 113.203 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -87.37 5.36 39.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.806 1.643 . . . . 0.0 114.39 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.2 mt -121.77 127.11 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.249 1.386 . . . . 0.0 110.398 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.28 137.68 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.854 1.661 . . . . 0.0 110.204 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -123.2 125.84 45.85 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.492 1.917 . . . . 0.0 113.108 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 33.5 t -159.61 108.99 1.84 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.773 0.829 . . . . 0.0 109.637 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.8 p -120.2 148.4 43.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.197 1.399 . . . . 0.0 111.896 170.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 55.43 25.5 7.78 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.002 1.721 . . . . 0.0 115.231 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -142.65 167.12 22.84 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.758 1.623 . . . . 0.0 110.368 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.1 tp -50.1 -45.42 52.72 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.276 1.83 . . . . 0.0 115.686 -167.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.85 -32.39 69.39 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.351 -0.843 . . . . 0.0 113.077 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.67 -39.48 77.72 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.97 0.795 . . . . 0.0 112.348 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.67 -32.61 74.14 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.8 mt -69.2 -60.59 2.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.981 1.312 . . . . 0.0 111.902 169.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.289 41.3 m-85 -67.17 -23.18 65.74 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 118.011 2.597 . . . . 0.0 118.011 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.51 16.4 77.54 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 123.973 0.797 . . . . 0.0 114.38 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.71 151.25 65.63 Favored Pre-proline 0 N--CA 1.476 0.873 0 C-N-CA 126.16 1.784 . . . . 0.0 109.112 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.13 -22.86 25.41 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.567 2.845 . . . . 0.0 113.145 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.6 p -162.07 160.84 27.92 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.395 1.478 . . . . 0.0 112.042 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.61 153.26 31.1 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.595 0.758 . . . . 0.0 110.598 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -84.9 128.11 34.47 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.104 0.962 . . . . 0.0 111.765 170.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.19 -24.99 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.213 1.405 . . . . 0.0 112.607 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -69.27 -22.43 63.82 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.234 1.014 . . . . 0.0 113.116 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -80.61 64.11 5.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 124.251 1.976 . . . . 0.0 112.635 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -56.98 -45.42 82.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 112.128 -2.305 . . . . 0.0 111.372 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -54.38 -43.53 71.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.803 1.641 . . . . 0.0 113.516 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -70.39 -44.35 68.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.954 0.901 . . . . 0.0 110.849 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.55 -44.96 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.819 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -57.49 -45.61 84.68 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.268 1.5 t -67.13 -37.35 83.68 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 174.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.5 mtm -65.28 -42.93 92.66 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.172 -0.955 . . . . 0.0 112.319 172.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.55 -38.79 90.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.882 0.873 . . . . 0.0 112.165 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.5 -31.77 73.03 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.276 0.63 . . . . 0.0 112.531 173.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.7 t -69.57 -35.08 75.05 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.428 -0.795 . . . . 0.0 112.417 171.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 59.7 mtt -64.32 -28.4 69.68 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.6 -1.312 . . . . 0.0 114.272 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.429 HG21 HG21 ' A' ' 34' ' ' VAL 0.296 2.9 p -90.08 -0.91 57.84 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 174.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.04 -179.32 51.81 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.987 1.279 . . . . 0.0 111.925 167.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.07 167.07 6.07 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.886 1.231 . . . . 0.0 115.111 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -71.99 146.8 47.46 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.165 1.386 . . . . 0.0 114.67 -171.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -119.85 65.65 0.81 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.887 2.075 . . . . 0.0 110.991 173.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.6 ttp -73.32 -31.26 63.9 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.309 0 C-N-CA 125.646 1.593 . . . . 0.0 113.369 178.077 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 58.2 ttm . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -68.58 160.01 51.15 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.422 2.748 . . . . 0.0 112.469 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -139.95 152.42 46.33 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.035 1.734 . . . . 0.0 110.745 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -57.31 -49.76 75.08 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 171.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -65.26 -31.79 73.12 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -173.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.9 -35.38 74.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.39 0.676 . . . . 0.0 112.461 175.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -74.42 -42.88 58.43 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -65.7 -30.97 71.73 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.137 0.975 . . . . 0.0 112.21 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.78 -31.34 70.7 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.978 -1.076 . . . . 0.0 112.879 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -65.03 -26.85 68.44 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.506 1.123 . . . . 0.0 113.109 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.6 -52.16 48.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.454 0.702 . . . . 0.0 111.879 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.0 ptp -69.77 -25.07 63.63 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.54 0.609 . . . . 0.0 112.004 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -72.85 3.02 5.7 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.702 1.601 . . . . 0.0 113.958 169.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.26 16.74 77.16 Favored Glycine 0 CA--C 1.536 1.379 0 O-C-N 120.848 -1.158 . . . . 0.0 114.824 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.62 19.73 65.24 Favored Glycine 0 CA--C 1.538 1.49 0 CA-C-N 118.468 1.134 . . . . 0.0 114.214 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.08 136.91 37.9 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.701 1.143 . . . . 0.0 113.88 -170.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 62.37 6.31 1.87 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.812 2.045 . . . . 0.0 115.785 -173.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -123.8 1.7 8.76 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.179 1.391 . . . . 0.0 114.198 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.6 mt -69.17 152.0 45.65 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.964 0.905 . . . . 0.0 112.551 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.292 53.2 t80 -64.38 136.73 57.4 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 -174.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.275 9.7 p90 -63.34 132.76 52.58 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 61.64 -47.03 0.14 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 128.474 2.71 . . . . 0.0 116.339 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.16 -2.99 90.71 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.077 1.323 . . . . 0.0 115.818 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 22.9 ttt -142.3 154.78 44.99 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.247 1.419 . . . . 0.0 111.234 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.4 p -145.67 167.52 22.91 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.592 1.557 . . . . 0.0 111.726 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 t -59.47 127.73 85.01 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 124.466 1.106 . . . . 0.0 112.226 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.52 156.81 60.57 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.496 2.798 . . . . 0.0 112.885 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.388 0.2 OUTLIER -121.75 44.72 2.49 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.753 1.761 . . . . 0.0 115.753 175.245 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -63.62 -16.66 61.51 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -169.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.84 -21.78 76.74 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-O 118.89 -0.95 . . . . 0.0 113.974 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 56.88 -10.53 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 128.571 2.748 . . . . 0.0 118.205 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 t -141.67 151.1 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 127.792 2.437 . . . . 0.0 111.036 -172.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -134.72 154.59 51.5 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.279 1.8 t -143.72 18.1 1.82 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.395 1.878 . . . . 0.0 114.089 175.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.4 p -66.06 150.5 48.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.258 1.423 . . . . 0.0 114.362 -173.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -158.89 -53.59 0.06 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.471 1.908 . . . . 0.0 108.873 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.3 pt -73.45 170.32 14.57 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 125.792 1.637 . . . . 0.0 109.784 167.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -59.86 -27.56 85.19 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.946 2.43 . . . . 0.0 115.175 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.85 127.44 32.55 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.856 0.863 . . . . 0.0 111.461 170.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -75.13 -28.21 60.1 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -176.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 57.75 24.41 10.66 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.636 1.974 . . . . 0.0 113.565 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -78.0 47.97 0.69 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.893 1.677 . . . . 0.0 113.254 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.47 36.85 0.32 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.247 1.819 . . . . 0.0 113.347 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 133.56 56.21 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 -174.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -90.17 153.54 20.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.87 1.268 . . . . 0.0 113.652 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -128.8 162.7 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 128.491 2.716 . . . . 0.0 112.466 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.7 mtm105 -109.05 89.04 6.19 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 124.579 1.152 . . . . 0.0 111.986 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -66.79 150.52 83.35 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.191 1.928 . . . . 0.0 112.632 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -65.04 153.72 88.33 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.318 1.047 . . . . 0.0 112.49 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -55.92 -34.09 90.81 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.157 2.571 . . . . 0.0 114.859 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 tp -65.91 -37.59 86.48 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.805 0.842 . . . . 0.0 112.501 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.418 HD22 ' HB3' ' A' ' 112' ' ' MET . 44.6 tp -72.46 -45.48 59.33 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.193 0.997 . . . . 0.0 110.661 172.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.5 tp -53.13 -43.21 66.77 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.333 0.653 . . . . 0.0 111.961 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -61.4 -40.14 93.28 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.666 0.787 . . . . 0.0 112.874 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 tt -64.88 -40.3 94.89 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.146 0.978 . . . . 0.0 111.812 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.4 mt -66.75 -43.24 84.63 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.854 0.861 . . . . 0.0 110.891 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -64.6 -22.01 66.86 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 173.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -64.65 -18.53 65.02 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.084 0.856 . . . . 0.0 113.138 171.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.8 m -113.19 16.86 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 126.037 1.735 . . . . 0.0 113.065 168.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.16 31.3 43.06 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.668 1.128 . . . . 0.0 115.61 170.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.36 76.87 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 118.924 1.362 . . . . 0.0 113.507 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 57.47 -21.8 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 169.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -66.78 159.62 27.61 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 121.193 1.815 . . . . 0.0 112.258 175.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -91.01 -6.08 54.47 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 169.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.23 148.35 28.79 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.629 1.972 . . . . 0.0 106.657 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -148.47 154.54 39.99 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -174.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -74.5 156.97 36.32 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.37 -0.831 . . . . 0.0 112.733 165.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mmt -57.23 -36.31 70.75 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.526 -1.359 . . . . 0.0 113.167 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -67.09 -39.47 86.79 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.513 172.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.39 -46.64 89.32 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.799 1.181 . . . . 0.0 112.903 172.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -60.05 -49.92 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.316 0.507 . . . . 0.0 110.356 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.18 -44.8 92.18 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.61 0.641 . . . . 0.0 112.147 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -55.52 -54.06 48.64 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -66.02 -38.3 88.06 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.53 -41.27 98.49 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.25 -0.906 . . . . 0.0 111.631 172.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.72 99.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 121.572 -0.705 . . . . 0.0 112.271 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -61.34 -35.65 78.0 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.319 1.06 . . . . 0.0 113.256 170.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -68.27 -49.14 62.55 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.808 0.731 . . . . 0.0 111.006 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.13 -40.94 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 111.287 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.1 ttm -62.24 -52.49 63.52 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.013 1.325 . . . . 0.0 112.253 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -69.42 -38.61 77.97 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -72.7 -14.84 61.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.254 1.422 . . . . 0.0 113.493 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 56.63 42.94 26.34 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.04 2.136 . . . . 0.0 113.033 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.3 mt -77.42 -9.19 58.72 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.699 1.2 . . . . 0.0 114.006 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -63.15 148.6 47.53 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 172.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.55 132.51 50.07 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 171.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -64.69 -27.78 69.15 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -80.79 -47.19 14.24 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.982 0.913 . . . . 0.0 110.905 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -130.44 100.32 5.31 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.97 1.308 . . . . 0.0 112.362 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.85 -13.89 62.51 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -176.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -75.18 -2.7 29.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.103 0.961 . . . . 0.0 113.481 171.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.6 mt -113.32 134.29 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.727 1.611 . . . . 0.0 109.796 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -109.95 133.64 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.741 1.616 . . . . 0.0 112.541 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.289 52.2 m-85 -106.81 69.7 0.78 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.83 2.052 . . . . 0.0 115.645 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.5 p -69.94 -3.35 15.63 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.0 t -46.97 131.59 12.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.926 1.69 . . . . 0.0 114.252 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 59.8 -0.02 0.23 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -86.37 170.5 11.96 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.114 1.366 . . . . 0.0 111.475 172.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.7 tp -51.42 -44.49 62.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.402 1.081 . . . . 0.0 111.282 169.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.02 -32.99 73.53 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.14 -31.16 75.81 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 123.808 0.718 . . . . 0.0 113.45 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -73.37 -29.13 62.43 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 171.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.82 -55.96 5.56 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.855 0.862 . . . . 0.0 112.206 171.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.304 26.4 m-85 -68.79 -26.55 65.25 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 117.591 2.441 . . . . 0.0 117.591 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.73 18.55 78.81 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.181 0.896 . . . . 0.0 114.693 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 m -141.53 155.27 67.14 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 125.896 1.678 . . . . 0.0 109.78 -176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.83 -28.29 16.86 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.063 2.509 . . . . 0.0 113.207 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.5 p -163.11 161.86 25.4 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.767 1.227 . . . . 0.0 112.558 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -156.43 160.0 39.2 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.509 1.124 . . . . 0.0 109.388 173.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -95.24 131.11 41.65 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.813 0.845 . . . . 0.0 111.171 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.61 -23.47 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.404 1.081 . . . . 0.0 112.603 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -63.94 -21.81 66.64 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.407 1.483 . . . . 0.0 113.753 172.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -78.38 49.35 0.84 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.109 1.764 . . . . 0.0 111.762 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -52.31 -45.09 65.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.545 1.138 . . . . 0.0 113.347 -169.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.5 ttp-105 -59.88 -42.1 93.02 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.106 0.963 . . . . 0.0 112.818 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -68.55 -44.53 74.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.87 0.868 . . . . 0.0 110.944 174.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.53 -45.12 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.733 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -58.21 -43.53 87.71 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.301 1.0 OUTLIER -68.46 -34.24 75.6 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 173.266 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.9 mtm -68.44 -37.28 80.11 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.111 -0.993 . . . . 0.0 112.687 170.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 98.2 mmm -66.89 -39.78 87.57 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.412 1.085 . . . . 0.0 111.772 173.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.02 -34.91 75.58 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.645 -0.659 . . . . 0.0 111.909 171.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.9 m -68.95 -0.29 5.42 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 171.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.418 ' HB3' HD22 ' A' ' 40' ' ' LEU . 35.4 mtt -102.66 -2.68 27.86 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.981 1.312 . . . . 0.0 113.399 169.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.253 1.1 p -132.51 -31.76 1.36 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.52 -173.47 49.61 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.392 1.472 . . . . 0.0 113.394 169.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.75 133.67 34.94 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 123.839 0.733 . . . . 0.0 112.889 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -78.91 147.78 32.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.244 1.018 . . . . 0.0 112.861 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -79.41 -12.72 59.9 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 171.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 17.4 tpt -67.0 142.97 57.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.097 1.359 . . . . 0.0 112.622 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.381 1.467 . . . . 0.0 112.855 178.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 57.4 ttm . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -69.18 153.51 71.49 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.28 2.653 . . . . 0.0 112.327 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -131.13 159.57 37.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.074 1.35 . . . . 0.0 113.562 -176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -52.16 -49.39 63.87 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -66.26 -25.41 66.86 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -64.75 -42.75 94.94 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.209 -0.932 . . . . 0.0 111.208 172.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -66.77 -33.61 76.0 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -75.35 -37.77 60.49 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.985 -0.447 . . . . 0.0 111.502 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 28.2 tp -60.63 -31.29 70.49 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.615 -1.303 . . . . 0.0 112.284 174.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -66.05 -25.16 66.91 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.245 1.418 . . . . 0.0 113.952 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.5 mt -63.22 -55.77 22.2 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.678 0.672 . . . . 0.0 110.869 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.46 -29.34 64.74 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -71.1 -38.61 72.37 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.02 0.928 . . . . 0.0 112.063 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.96 87.78 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.072 0.844 . . . . 0.0 112.824 175.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.53 -36.81 0.27 Allowed Glycine 0 CA--C 1.54 1.655 0 C-N-CA 126.928 2.204 . . . . 0.0 117.889 169.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.4 128.6 27.67 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.079 1.439 . . . . 0.0 112.771 -176.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.26 -15.78 38.51 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 -169.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -128.14 20.09 6.38 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.341 1.456 . . . . 0.0 112.133 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.6 tp 47.93 61.17 3.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.281 1.432 . . . . 0.0 111.38 -170.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -59.71 132.01 52.65 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 -169.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.293 39.9 t80 -73.25 142.14 47.24 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 177.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -154.0 167.59 29.25 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.207 1.803 . . . . 0.0 110.837 171.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.0 -18.84 42.33 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 118.057 1.983 . . . . 0.0 118.057 -168.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 64.9 mtm -82.96 -10.24 58.89 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.711 1.755 . . . . 0.0 113.207 173.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m 61.76 118.54 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 128.523 2.729 . . . . 0.0 114.803 -169.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t 65.22 128.83 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.129 0 C-N-CA 127.164 2.186 . . . . 0.0 115.34 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -67.53 113.82 3.06 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.493 2.129 . . . . 0.0 110.22 172.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.58 140.61 35.16 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -169.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . 0.382 9.3 p30 27.28 -90.74 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 119.076 2.991 . . . . 0.0 119.076 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.1 -13.72 58.07 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.217 1.389 . . . . 0.0 115.251 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.76 -29.89 70.43 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.774 1.287 . . . . 0.0 113.202 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -70.5 -35.32 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 172.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -25.92 68.6 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -16.2 63.95 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 171.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 t -69.42 153.12 44.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.066 0.946 . . . . 0.0 112.895 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -67.93 -23.43 65.08 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.749 1.219 . . . . 0.0 113.333 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -138.04 152.87 72.82 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 126.038 1.735 . . . . 0.0 111.283 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -66.29 140.0 56.96 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.037 2.491 . . . . 0.0 113.125 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.99 168.84 18.69 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.784 1.233 . . . . 0.0 112.578 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t 64.7 -24.16 0.08 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.897 2.479 . . . . 0.0 116.873 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -67.58 -31.05 70.84 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.616 -1.303 . . . . 0.0 112.839 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -138.25 138.53 38.55 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.779 1.632 . . . . 0.0 111.096 169.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -159.17 150.39 20.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.699 1.599 . . . . 0.0 110.469 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 138.81 57.86 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.78 145.34 48.78 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.761 0.824 . . . . 0.0 111.613 172.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.92 -24.08 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -173.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 47.29 72.36 1.29 Allowed Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 127.242 2.217 . . . . 0.0 112.506 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.94 167.12 26.89 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.068 2.512 . . . . 0.0 113.301 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -55.26 148.23 32.35 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.119 0.967 . . . . 0.0 112.246 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -60.45 -30.51 90.98 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.857 2.372 . . . . 0.0 112.745 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.71 -40.94 94.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.49 1.116 . . . . 0.0 112.438 174.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -75.71 -44.93 39.56 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.43 0.692 . . . . 0.0 111.526 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD11 ' HE3' ' A' ' 45' ' ' LYS . 45.5 tp -55.67 -39.55 71.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.597 0.759 . . . . 0.0 112.154 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.1 -39.86 83.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.118 0.967 . . . . 0.0 112.91 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.26 -45.6 92.58 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.624 0.77 . . . . 0.0 111.159 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.09 -43.86 91.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.707 0.685 . . . . 0.0 111.032 174.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.457 ' HE3' HD11 ' A' ' 41' ' ' LEU . 82.4 mttt -65.92 -26.53 67.64 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 176.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -65.23 -25.9 67.89 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.307 0.958 . . . . 0.0 112.307 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 m -101.15 16.58 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.429 1.492 . . . . 0.0 112.94 169.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.82 30.64 25.87 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 116.591 1.396 . . . . 0.0 116.591 168.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.23 126.2 28.98 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 119.557 1.679 . . . . 0.0 110.645 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -81.29 -39.95 24.44 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -168.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -78.63 172.82 13.14 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.606 1.962 . . . . 0.0 113.179 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -103.64 -2.56 26.41 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -143.56 146.67 33.5 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.924 1.69 . . . . 0.0 107.286 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -144.39 154.77 43.33 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.455 1.502 . . . . 0.0 114.228 -171.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.34 166.19 23.79 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 168.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mmt -54.66 -46.11 73.96 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.312 -0.867 . . . . 0.0 112.666 172.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.59 -39.41 88.4 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.926 0.891 . . . . 0.0 112.031 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.05 -43.83 91.03 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.61 -48.57 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.544 0.738 . . . . 0.0 109.443 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.8 -44.95 86.67 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.741 0.701 . . . . 0.0 111.248 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.26 31.1 t80 -53.57 -60.55 3.16 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 173.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -60.23 -41.51 93.27 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.91 -45.77 90.94 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.417 1.087 . . . . 0.0 111.526 176.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.19 -42.5 96.36 Favored Glycine 0 CA--C 1.527 0.798 0 O-C-N 121.742 -0.599 . . . . 0.0 113.393 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -61.58 -35.32 77.48 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.364 1.082 . . . . 0.0 112.061 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -62.82 -53.28 56.71 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 169.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.8 mt -59.74 -39.7 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.904 0.882 . . . . 0.0 111.142 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.3 ttm -62.48 -56.01 22.19 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.723 1.209 . . . . 0.0 111.632 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . 0.256 1.3 t -67.77 -36.67 80.92 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -72.96 -9.21 58.48 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.678 1.191 . . . . 0.0 113.669 170.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 56.08 42.8 27.94 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.518 1.927 . . . . 0.0 113.051 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.85 -7.8 57.17 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.936 1.294 . . . . 0.0 113.953 -173.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -69.9 152.42 44.52 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 172.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -62.01 133.63 55.59 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.332 -0.855 . . . . 0.0 113.09 169.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -57.84 -30.68 65.97 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.048 0.939 . . . . 0.0 112.417 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -88.29 -61.9 1.61 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.357 1.463 . . . . 0.0 110.447 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -87.42 79.47 8.41 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.969 1.308 . . . . 0.0 110.367 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -73.91 34.12 0.09 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.384 1.474 . . . . 0.0 113.44 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -143.27 5.69 1.47 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 128.066 2.546 . . . . 0.0 112.116 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.0 mt -121.04 127.8 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.221 1.408 . . . . 0.0 109.441 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -96.69 139.08 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.243 1.817 . . . . 0.0 112.998 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -128.9 125.56 37.85 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.154 1.782 . . . . 0.0 113.453 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -159.21 101.68 1.58 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.218 1.007 . . . . 0.0 110.426 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.6 p -105.24 142.22 35.4 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.912 1.285 . . . . 0.0 111.677 171.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.47 9.53 0.79 Allowed 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.26 31.7 m-20 -120.75 170.23 9.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.229 2.212 . . . . 0.0 115.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.2 tp -52.66 -41.32 63.71 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -168.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.8 tp -68.83 -38.12 79.62 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.417 1.008 . . . . 0.0 112.601 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.24 -37.77 86.92 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 123.629 0.633 . . . . 0.0 112.491 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.06 -32.31 73.81 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 172.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.7 mt -71.35 -62.12 1.52 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.991 1.316 . . . . 0.0 112.077 171.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.284 55.7 m-85 -68.81 -19.04 64.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.89 16.7 80.49 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.41 1.005 . . . . 0.0 114.395 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.18 151.58 55.73 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 125.984 1.714 . . . . 0.0 109.567 -177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.53 -21.41 25.9 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.651 2.901 . . . . 0.0 113.212 175.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -161.02 158.15 27.42 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.246 1.418 . . . . 0.0 112.177 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -156.32 155.5 32.37 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.102 0.961 . . . . 0.0 109.696 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.1 t -97.48 133.64 41.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.846 0.858 . . . . 0.0 112.921 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . 0.26 1.3 t -77.07 -2.4 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.325 1.45 . . . . 0.0 114.439 170.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.43 -31.97 73.35 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.604 1.161 . . . . 0.0 112.405 170.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -111.39 81.35 1.43 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.879 1.272 . . . . 0.0 111.934 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -53.35 -37.12 62.06 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.268 1.027 . . . . 0.0 113.003 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -56.6 -39.24 73.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.679 1.591 . . . . 0.0 113.25 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -67.95 -44.49 76.64 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.911 0.885 . . . . 0.0 111.565 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.77 -46.6 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 118.46 -0.781 . . . . 0.0 111.127 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -57.64 -44.77 85.85 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.661 1.119 . . . . 0.0 112.909 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.275 1.1 t -66.22 -40.1 90.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 177.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 76.0 mtm -68.08 -40.18 82.75 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.581 -0.699 . . . . 0.0 112.508 173.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -76.64 -28.58 56.1 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.76 0.824 . . . . 0.0 111.862 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.0 -29.14 70.04 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.225 -0.922 . . . . 0.0 112.815 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.7 t -62.22 -24.92 67.51 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.21 -0.931 . . . . 0.0 112.32 173.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 36.9 mtt -79.17 -1.12 34.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.944 1.298 . . . . 0.0 113.446 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.345 0.9 OUTLIER -127.08 5.82 6.48 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -176.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.92 174.03 38.48 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 115.501 0.961 . . . . 0.0 115.501 174.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.26 -179.35 48.29 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.457 1.503 . . . . 0.0 115.38 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -128.7 22.03 5.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.006 1.722 . . . . 0.0 113.28 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.409 ' CD ' ' H ' ' A' ' 117' ' ' GLN . 6.4 pm0 -63.32 -24.52 67.89 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.004 1.721 . . . . 0.0 114.872 -178.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 36.4 mmt -78.9 141.9 37.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.108 0.963 . . . . 0.0 112.481 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 125.134 1.35 . . . . 0.0 112.877 179.608 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 118.741 -0.647 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -58.2 -33.22 97.31 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.342 2.695 . . . . 0.0 114.883 -175.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -61.96 -30.16 70.73 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -69.18 -47.06 65.96 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 166.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -65.32 -32.02 73.45 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.464 0.705 . . . . 0.0 112.864 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.51 -40.49 87.28 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.422 1.01 . . . . 0.0 112.952 171.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -66.54 -41.94 87.93 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 168.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -70.58 -32.14 69.42 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.729 0.812 . . . . 0.0 112.094 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 21.3 tp -65.31 -31.58 72.79 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.715 -1.241 . . . . 0.0 112.476 176.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -63.3 -31.04 72.09 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.186 0.994 . . . . 0.0 112.313 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.98 -58.45 8.61 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.231 0.612 . . . . 0.0 111.163 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.7 ptp -70.53 -29.36 65.81 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -71.94 -37.24 70.03 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.966 0.906 . . . . 0.0 112.593 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.82 -55.32 4.2 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 123.834 0.731 . . . . 0.0 112.946 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.34 161.2 3.46 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.329 1.442 . . . . 0.0 114.712 -171.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.19 162.4 43.39 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 121.895 -0.768 . . . . 0.0 113.129 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 63.47 -33.97 0.13 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 128.212 2.605 . . . . 0.0 115.842 -175.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -63.19 -39.08 93.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.322 1.449 . . . . 0.0 112.57 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.1 tt -71.37 118.01 13.63 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.895 0.878 . . . . 0.0 109.633 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -58.67 120.29 8.65 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 117.824 2.528 . . . . 0.0 117.824 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -62.72 -30.32 71.33 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.57 -10.41 59.2 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.747 1.219 . . . . 0.0 114.057 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.55 127.35 25.93 Favored Glycine 0 CA--C 1.534 1.266 0 O-C-N 121.558 -0.714 . . . . 0.0 112.27 174.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -75.05 -9.55 58.64 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.86 1.264 . . . . 0.0 114.261 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 m -153.41 164.79 37.54 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.376 2.27 . . . . 0.0 110.896 171.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 t -61.91 129.9 92.12 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 123.994 0.917 . . . . 0.0 112.524 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.45 163.38 36.84 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.398 2.732 . . . . 0.0 113.031 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 t -64.3 162.85 14.01 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -58.91 111.01 1.14 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.44 1.496 . . . . 0.0 115.028 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.25 -178.36 44.45 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.604 1.097 . . . . 0.0 113.845 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.22 43.62 1.13 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.38 1.472 . . . . 0.0 111.912 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t -59.98 136.76 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.841 1.256 . . . . 0.0 113.503 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -58.03 -21.81 46.96 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -21.36 19.7 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 169.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.2 p -68.99 -16.39 63.72 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.271 1.428 . . . . 0.0 114.265 171.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . 0.253 9.5 tp60 63.29 130.1 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.887 2.875 . . . . 0.0 115.779 -177.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.6 pp -81.64 157.29 69.9 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.919 1.288 . . . . 0.0 112.615 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -73.11 76.91 2.49 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.834 3.022 . . . . 0.0 110.96 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.59 130.23 45.42 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.709 1.204 . . . . 0.0 113.1 -171.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.0 m 58.87 8.02 0.89 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.833 2.053 . . . . 0.0 116.491 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -93.26 131.16 38.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.572 1.149 . . . . 0.0 111.678 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -76.23 167.64 21.5 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.326 1.05 . . . . 0.0 113.343 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 135.15 52.07 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.442 -0.786 . . . . 0.0 109.736 167.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.72 141.14 43.05 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -172.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.77 154.32 38.4 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.745 1.218 . . . . 0.0 113.058 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -126.11 161.69 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 127.999 2.52 . . . . 0.0 111.385 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -104.64 92.99 5.49 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 123.766 0.826 . . . . 0.0 110.689 171.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -65.41 155.88 66.34 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.215 1.943 . . . . 0.0 112.011 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -54.88 150.56 18.56 Favored Pre-proline 0 N--CA 1.478 0.93 0 C-N-CA 123.996 0.918 . . . . 0.0 112.047 171.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -59.5 -32.54 96.44 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.606 2.204 . . . . 0.0 112.832 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.2 tp -62.24 -40.64 96.83 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.492 1.117 . . . . 0.0 112.417 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.2 tp -73.97 -45.83 47.65 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.905 0.882 . . . . 0.0 111.435 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.4 HD11 ' HE3' ' A' ' 45' ' ' LYS . 40.7 tp -55.92 -39.66 71.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.214 1.006 . . . . 0.0 112.087 177.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -60.34 -37.9 82.11 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.996 0.918 . . . . 0.0 112.931 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.85 -45.59 93.13 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 0.0 111.108 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.28 -41.42 96.91 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.544 0.611 . . . . 0.0 111.266 175.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HE3' HD11 ' A' ' 41' ' ' LEU . 71.6 mttt -65.78 -27.05 68.0 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 175.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 p -65.13 -25.04 67.59 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.357 0.98 . . . . 0.0 112.48 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.8 m -102.24 14.83 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.728 1.611 . . . . 0.0 113.039 169.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.54 28.15 25.26 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 116.865 1.506 . . . . 0.0 116.865 168.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.67 121.79 19.46 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 119.758 1.779 . . . . 0.0 110.233 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -79.63 -37.84 35.13 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 -167.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -91.12 -177.04 4.79 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.579 1.952 . . . . 0.0 113.87 -174.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.8 p30 -115.8 2.2 13.57 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.686 1.994 . . . . 0.0 115.444 -174.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.46 141.18 24.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 -174.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -147.82 151.64 36.32 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -73.59 158.41 34.86 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.614 1.097 . . . . 0.0 113.208 167.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.3 mmt -56.47 -38.24 71.43 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.83 -1.169 . . . . 0.0 113.065 173.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -66.48 -38.99 88.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.328 0.651 . . . . 0.0 112.592 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.22 -45.48 88.07 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.333 0.97 . . . . 0.0 112.739 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.29 -48.35 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.422 0.689 . . . . 0.0 110.592 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.67 -45.8 88.6 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.421 0.688 . . . . 0.0 111.553 174.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -52.37 -56.6 13.84 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -60.22 -40.08 88.92 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.05 -43.59 87.04 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.014 0.925 . . . . 0.0 112.343 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.23 98.93 Favored Glycine 0 CA--C 1.532 1.121 0 O-C-N 121.222 -0.924 . . . . 0.0 112.634 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -62.77 -34.79 77.97 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.955 -0.733 . . . . 0.0 112.461 172.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.46 -50.17 70.77 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 172.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.7 mt -58.81 -40.53 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.432 1.093 . . . . 0.0 111.337 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.5 mtm -64.57 -51.89 60.47 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -65.65 -34.83 79.13 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -77.53 -15.34 59.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.842 1.657 . . . . 0.0 114.507 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 54.64 43.85 29.53 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 126.225 1.81 . . . . 0.0 113.726 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.0 mt -74.87 -13.69 60.58 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.293 2.0 p90 -66.56 153.13 43.81 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.18 130.0 43.39 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.155 0.582 . . . . 0.0 112.518 168.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -59.16 -30.52 68.23 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.144 -0.973 . . . . 0.0 112.682 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -85.99 -45.9 11.03 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.971 1.309 . . . . 0.0 111.54 -175.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -120.96 89.5 3.14 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.472 1.509 . . . . 0.0 111.006 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -69.84 -9.93 56.58 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -172.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -78.71 -5.11 52.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.184 0.994 . . . . 0.0 113.399 169.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.7 mt -107.03 130.02 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.771 1.628 . . . . 0.0 110.224 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.1 t -102.03 128.92 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.068 1.747 . . . . 0.0 112.561 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.277 56.4 m-85 -104.88 68.74 0.84 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.739 2.016 . . . . 0.0 114.731 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.0 p -71.93 2.1 6.13 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -174.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 81.9 p -53.32 145.92 13.19 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.994 1.318 . . . . 0.0 113.815 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 58.47 16.01 3.91 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.197 1.799 . . . . 0.0 115.568 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -120.49 165.0 15.57 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.549 1.539 . . . . 0.0 112.861 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.1 tp -48.95 -38.11 22.06 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.226 1.41 . . . . 0.0 112.361 169.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.9 tp -70.56 -34.29 72.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.5 -37.46 94.47 Favored Glycine 0 CA--C 1.533 1.197 0 O-C-N 121.435 -0.791 . . . . 0.0 112.34 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.94 -29.99 70.49 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.39 -59.11 2.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.88 1.272 . . . . 0.0 112.114 171.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.263 27.0 m-85 -68.04 -23.89 65.03 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 117.754 2.502 . . . . 0.0 117.754 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.72 19.19 79.71 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 123.997 0.808 . . . . 0.0 114.54 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.6 m -139.79 155.22 71.36 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 126.187 1.795 . . . . 0.0 109.522 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.35 -25.92 17.87 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.283 2.655 . . . . 0.0 113.276 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.6 p -161.82 160.2 27.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.641 1.176 . . . . 0.0 113.0 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -158.06 162.88 38.12 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.46 1.504 . . . . 0.0 107.427 173.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.0 t -104.89 134.8 47.4 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.139 -0.976 . . . . 0.0 111.877 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.6 t -60.03 -26.01 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.736 0.814 . . . . 0.0 112.767 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -64.15 -20.43 65.99 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.424 1.89 . . . . 0.0 113.333 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -78.8 50.21 0.98 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.093 1.757 . . . . 0.0 112.066 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -51.92 -46.36 64.62 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.762 1.225 . . . . 0.0 114.24 -169.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -39.79 93.97 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.64 1.176 . . . . 0.0 112.933 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -67.59 -45.7 74.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.532 1.533 . . . . 0.0 111.376 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.26 -44.58 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 118.946 -0.549 . . . . 0.0 111.107 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -56.17 -47.89 77.39 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.279 1.2 t -67.05 -36.23 81.59 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 61.1 mtm -66.33 -42.69 87.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.46 -0.775 . . . . 0.0 112.353 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.2 mmm -63.48 -39.65 95.01 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.925 0.89 . . . . 0.0 111.992 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.78 80.79 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.447 0.699 . . . . 0.0 112.772 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.0 p -65.78 -18.78 65.57 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 39.2 mtt -85.99 -4.45 59.17 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.544 1.138 . . . . 0.0 113.703 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.324 0.7 OUTLIER -132.07 3.1 4.01 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.728 2.122 . . . . 0.0 116.728 -177.568 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -172.46 166.74 39.53 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.997 1.284 . . . . 0.0 113.24 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.79 168.21 54.17 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.273 0.94 . . . . 0.0 114.447 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -150.49 157.3 42.86 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.491 1.516 . . . . 0.0 111.686 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -68.8 154.52 41.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.951 0.9 . . . . 0.0 112.653 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.4 ptm -154.53 160.35 41.48 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.516 1.526 . . . . 0.0 111.805 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.193 0 C-N-CA 125.252 1.406 . . . . 0.0 113.138 178.206 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 58.6 ttm . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -58.99 143.93 99.55 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.506 2.804 . . . . 0.0 114.288 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -147.38 155.75 42.26 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.922 1.689 . . . . 0.0 112.641 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -50.59 -50.27 54.27 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 116.118 1.895 . . . . 0.0 116.118 170.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -68.94 -26.71 65.2 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -61.92 -49.06 77.68 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.198 0.908 . . . . 0.0 111.466 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -59.53 -41.11 89.28 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 169.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -67.03 -39.34 86.99 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.015 0.526 . . . . 0.0 111.13 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.5 -29.19 66.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.816 -1.178 . . . . 0.0 112.861 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 31.3 mmt-85 -68.74 -26.12 65.09 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.875 0.761 . . . . 0.0 113.026 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.66 -47.67 65.94 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.629 0.65 . . . . 0.0 110.219 168.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.9 mtm -74.82 -27.58 60.35 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.372 0.669 . . . . 0.0 112.481 -170.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -63.06 -27.01 69.11 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.612 1.165 . . . . 0.0 112.216 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.84 9.86 67.29 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.512 1.53 . . . . 0.0 114.29 169.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.41 162.05 54.44 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.94 1.257 . . . . 0.0 113.028 170.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.45 -65.9 2.01 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.832 1.206 . . . . 0.0 112.649 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -79.65 36.13 0.31 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.853 1.661 . . . . 0.0 112.451 170.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -85.02 169.16 14.24 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.752 1.621 . . . . 0.0 113.138 -170.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.89 -25.47 68.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.669 1.187 . . . . 0.0 113.05 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.268 30.2 t80 -48.79 133.43 17.49 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 172.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.435 22.4 t80 61.61 -0.01 0.44 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 -172.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 54.82 31.36 15.47 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.219 1.807 . . . . 0.0 113.268 -169.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.7 -21.53 76.46 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.182 0.896 . . . . 0.0 114.799 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 81.2 mmm -141.23 161.65 37.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.513 1.925 . . . . 0.0 112.363 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -62.54 161.69 11.59 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.328 1.451 . . . . 0.0 113.588 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 t -58.51 129.03 83.93 Favored Pre-proline 0 N--CA 1.476 0.825 0 C-N-CA 124.584 1.154 . . . . 0.0 112.838 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.48 137.12 35.5 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.249 2.633 . . . . 0.0 112.029 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -53.34 17.4 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -164.78 169.53 16.61 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.167 1.787 . . . . 0.0 108.335 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.25 148.85 50.53 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.091 0.853 . . . . 0.0 112.888 171.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 137.2 56.95 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.937 -0.743 . . . . 0.0 112.857 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 p -140.8 -10.17 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -175.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 p -74.46 150.28 39.98 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.71 1.204 . . . . 0.0 109.364 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 p -74.04 -38.37 64.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.429 1.092 . . . . 0.0 108.719 172.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -68.23 147.12 52.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.981 1.313 . . . . 0.0 112.251 170.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -151.44 132.07 13.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.931 1.293 . . . . 0.0 110.759 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 pt -79.92 154.53 75.39 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.037 0.935 . . . . 0.0 111.879 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -60.86 137.8 74.93 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.008 2.472 . . . . 0.0 113.183 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.05 154.0 31.79 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.16 0.984 . . . . 0.0 112.321 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.5 t -71.62 143.29 49.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.487 0.715 . . . . 0.0 112.106 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -81.73 -7.98 59.65 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.34 1.056 . . . . 0.0 113.657 173.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -72.05 151.05 43.41 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.134 0.974 . . . . 0.0 112.795 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -139.27 144.13 38.24 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.486 1.515 . . . . 0.0 112.042 -176.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.92 128.98 29.47 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.427 1.491 . . . . 0.0 114.67 176.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.24 140.54 30.78 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.208 1.003 . . . . 0.0 112.092 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.87 -20.99 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -171.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 48.73 82.21 0.24 Allowed Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 127.768 2.427 . . . . 0.0 113.125 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -65.56 161.04 40.2 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.435 2.09 . . . . 0.0 112.693 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -56.84 148.62 47.48 Favored Pre-proline 0 N--CA 1.479 0.994 0 C-N-CA 123.899 0.879 . . . . 0.0 112.289 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -55.88 -34.22 90.94 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.15 2.567 . . . . 0.0 114.477 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.32 -39.71 94.45 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.802 0.841 . . . . 0.0 112.351 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.0 tp -72.27 -44.25 63.07 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.619 0.767 . . . . 0.0 111.12 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.3 tp -53.91 -42.05 68.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.225 0.61 . . . . 0.0 111.549 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -62.3 -34.59 76.87 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.47 -38.3 89.28 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.681 -0.637 . . . . 0.0 111.023 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.64 -40.99 88.95 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.58 -0.7 . . . . 0.0 111.516 169.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -59.34 -32.35 70.01 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.435 -1.415 . . . . 0.0 112.887 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.1 m -64.87 -15.16 61.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.656 1.183 . . . . 0.0 113.638 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -117.87 21.92 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.258 1.823 . . . . 0.0 112.496 170.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.2 22.82 58.33 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 116.673 1.429 . . . . 0.0 116.673 169.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.68 120.53 10.8 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.03 1.415 . . . . 0.0 112.375 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -80.67 -47.4 14.1 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -169.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -72.2 171.99 11.04 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.844 1.658 . . . . 0.0 112.684 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -111.38 3.87 18.54 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.549 1.94 . . . . 0.0 115.591 169.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -143.19 141.88 31.27 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.748 2.019 . . . . 0.0 106.772 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -148.72 159.3 44.26 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -169.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -78.54 162.03 26.61 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 165.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.2 mmm -54.18 -42.04 69.22 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.742 -1.224 . . . . 0.0 112.747 172.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -68.26 -37.34 80.65 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.422 0.689 . . . . 0.0 112.441 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -65.48 -43.13 91.2 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.878 0.763 . . . . 0.0 113.015 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.16 -49.02 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.066 0.546 . . . . 0.0 110.577 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.49 -42.55 82.93 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.693 174.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -53.56 -57.95 8.91 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -59.63 -40.8 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.54 -44.01 95.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.347 1.059 . . . . 0.0 111.845 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.79 98.49 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.752 0.691 . . . . 0.0 112.67 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -63.33 -30.74 71.82 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.039 0.92 . . . . 0.0 112.76 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -69.33 -48.79 60.42 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.412 -0.805 . . . . 0.0 112.79 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.86 -42.26 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.841 1.256 . . . . 0.0 110.85 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 50.2 ttm -63.3 -56.32 17.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.368 1.467 . . . . 0.0 112.274 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -64.55 -34.12 77.5 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.17 1.545 . . . . 0.0 115.17 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -78.77 -10.48 59.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.689 1.595 . . . . 0.0 113.89 172.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 51.93 45.31 28.47 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 127.635 2.374 . . . . 0.0 113.558 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.2 mt -77.53 -7.63 56.57 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -63.76 146.5 53.78 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 170.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.88 134.02 52.16 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.63 -27.68 67.88 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -79.21 -46.72 17.31 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.647 0.779 . . . . 0.0 110.812 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -131.82 102.34 5.82 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.954 1.302 . . . . 0.0 112.58 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -66.83 -13.9 62.08 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -74.46 -0.14 16.5 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 170.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.0 mt -120.04 140.49 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.178 1.791 . . . . 0.0 109.66 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.4 t -119.56 139.78 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.088 1.755 . . . . 0.0 110.39 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -124.45 128.3 48.8 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.936 2.094 . . . . 0.0 114.267 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.1 t -160.38 108.92 1.67 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.083 0.953 . . . . 0.0 109.832 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 76.8 p -118.56 147.06 44.09 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.532 1.533 . . . . 0.0 111.95 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.267 0.8 OUTLIER 48.4 32.38 3.25 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 127.062 2.145 . . . . 0.0 115.72 -178.238 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -144.37 167.8 21.6 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.618 1.567 . . . . 0.0 109.65 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.4 tp -49.22 -51.91 30.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.101 1.76 . . . . 0.0 115.201 -167.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.78 -35.82 81.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.311 0.96 . . . . 0.0 113.134 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.77 -34.57 83.35 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.955 0.788 . . . . 0.0 112.779 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.13 -34.02 76.69 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 172.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.94 -57.86 5.51 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.663 0.785 . . . . 0.0 111.556 169.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.302 42.7 m-85 -67.44 -23.37 65.51 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 118.081 2.623 . . . . 0.0 118.081 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.13 16.74 76.94 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.063 0.839 . . . . 0.0 114.409 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.79 151.68 63.63 Favored Pre-proline 0 N--CA 1.475 0.803 0 C-N-CA 126.115 1.766 . . . . 0.0 109.413 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -71.13 -21.85 26.71 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.642 2.895 . . . . 0.0 113.235 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -162.4 160.38 26.38 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.282 1.433 . . . . 0.0 112.34 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -154.55 158.16 39.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.885 0.874 . . . . 0.0 110.723 172.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.0 t -91.94 125.18 36.54 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.03 0.932 . . . . 0.0 111.625 171.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.29 -30.24 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.352 1.461 . . . . 0.0 112.632 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.31 -25.71 67.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.624 1.97 . . . . 0.0 113.305 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.65 62.1 3.83 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.15 1.38 . . . . 0.0 111.534 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -55.47 -43.98 76.01 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -169.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -60.9 -39.58 89.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.818 0.847 . . . . 0.0 113.132 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -67.49 -40.1 85.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.26 1.024 . . . . 0.0 111.405 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.23 -46.04 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.143 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -56.77 -43.45 80.85 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.278 1.2 t -66.95 -36.9 83.26 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.13 -39.64 90.02 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.247 -0.908 . . . . 0.0 112.456 171.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.3 mmm -67.34 -41.36 85.31 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.03 0.932 . . . . 0.0 111.915 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.19 -34.13 74.57 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.334 0.654 . . . . 0.0 111.904 173.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.7 m -67.79 -9.33 43.29 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.4 mtt -102.18 4.18 39.16 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.644 1.578 . . . . 0.0 113.74 172.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.7 p -132.52 -34.44 1.19 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.95 172.91 54.96 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.29 1.424 . . . . 0.0 114.054 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.52 175.18 53.34 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.637 1.113 . . . . 0.0 114.418 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -150.98 161.66 42.3 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.584 1.554 . . . . 0.0 111.883 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -73.42 -16.9 61.31 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.309 1.044 . . . . 0.0 113.244 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.3 ttp 63.66 -34.16 0.14 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 129.237 3.015 . . . . 0.0 116.526 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 C-N-CA 125.683 1.611 . . . . 0.0 113.866 173.665 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 36.5 tpp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.65 148.01 93.96 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.917 2.411 . . . . 0.0 112.364 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -70.7 161.33 31.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.205 1.002 . . . . 0.0 112.314 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -48.51 -51.77 25.72 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -65.65 -32.54 74.17 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.32 -26.19 68.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.879 0.872 . . . . 0.0 112.474 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -83.54 -43.55 15.61 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 166.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -64.41 -32.99 74.84 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.258 1.023 . . . . 0.0 112.394 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 24.8 tp -56.86 -31.32 64.69 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.312 1.045 . . . . 0.0 112.691 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -72.63 -19.16 61.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.316 1.046 . . . . 0.0 112.186 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.54 -50.36 38.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.684 0.793 . . . . 0.0 111.766 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.7 ptp -70.9 -30.03 66.26 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.804 -0.56 . . . . 0.0 111.537 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -83.71 26.09 0.73 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.695 1.598 . . . . 0.0 112.79 169.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.34 -20.74 51.89 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.474 1.511 . . . . 0.0 115.953 -172.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.62 -16.32 71.8 Favored Glycine 0 CA--C 1.541 1.671 0 CA-C-N 118.582 1.191 . . . . 0.0 114.373 170.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.23 2.6 83.67 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.989 1.757 . . . . 0.0 114.944 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -129.06 171.05 12.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.889 1.676 . . . . 0.0 112.059 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.2 -23.8 64.3 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -169.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.4 tp 50.2 -93.07 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.696 2.398 . . . . 0.0 113.674 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.296 49.1 m-85 -126.47 10.39 7.29 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 117.652 2.464 . . . . 0.0 117.652 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.373 52.2 m-85 -60.44 153.82 22.12 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 118.53 2.789 . . . . 0.0 118.53 -175.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 67.58 122.37 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 128.545 2.738 . . . . 0.0 113.457 -169.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.71 -8.53 10.55 Favored Glycine 0 CA--C 1.545 1.925 0 C-N-CA 125.126 1.346 . . . . 0.0 114.577 -169.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 32.9 tpp -162.02 158.21 24.67 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 129.586 3.155 . . . . 0.0 108.264 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 p -90.52 -87.64 0.19 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.099 0.96 . . . . 0.0 110.021 167.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.7 t -140.33 126.62 11.89 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 127.342 2.257 . . . . 0.0 110.998 171.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.18 153.21 56.82 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 124.273 3.316 . . . . 0.0 112.799 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.99 113.89 5.35 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 170.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 p30 -86.03 -21.08 27.94 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.54 -169.31 42.39 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.541 1.543 . . . . 0.0 112.619 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.55 144.42 55.63 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 122.062 -0.669 . . . . 0.0 111.975 173.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 m -134.23 150.92 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.313 1.445 . . . . 0.0 113.604 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -65.13 152.56 43.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.896 1.278 . . . . 0.0 114.046 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.63 -1.11 56.81 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 170.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.9 m -77.98 41.84 0.37 Allowed 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 -171.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 -75.41 45.65 0.31 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.091 1.356 . . . . 0.0 112.962 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.3 pt -75.23 164.45 61.11 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.537 1.535 . . . . 0.0 111.507 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -63.96 -30.08 66.95 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.012 2.474 . . . . 0.0 114.64 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.51 155.0 39.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.511 1.124 . . . . 0.0 112.833 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -68.19 134.28 50.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.298 0.639 . . . . 0.0 112.335 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -143.18 155.78 44.62 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.713 1.605 . . . . 0.0 112.518 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -71.13 150.05 45.82 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.147 0.979 . . . . 0.0 112.167 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.7 mp0 -65.83 159.41 25.43 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.7 1.2 . . . . 0.0 112.857 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.42 132.71 51.94 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.58 148.76 33.18 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.139 0.976 . . . . 0.0 112.34 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 m -132.95 163.66 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.57 2.348 . . . . 0.0 112.831 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -100.57 92.04 2.08 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 124.537 1.135 . . . . 0.0 111.085 169.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.98 153.35 76.41 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 121.87 1.713 . . . . 0.0 112.293 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 51.8 mtmt -59.03 151.56 55.51 Favored Pre-proline 0 N--CA 1.476 0.872 0 C-N-CA 124.285 1.034 . . . . 0.0 112.231 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.73 -35.26 93.01 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.029 2.486 . . . . 0.0 113.96 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.33 -38.77 90.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.431 1.092 . . . . 0.0 112.277 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 112' ' ' MET . 60.5 tp -74.93 -44.54 47.99 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.397 0.679 . . . . 0.0 111.402 174.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.6 tp -55.01 -38.87 68.44 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.805 0.842 . . . . 0.0 111.87 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -59.06 -40.57 85.56 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.995 0.918 . . . . 0.0 113.134 170.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -66.07 -45.19 82.19 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.066 0.947 . . . . 0.0 111.99 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.93 -43.14 91.11 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.393 0.677 . . . . 0.0 110.51 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -72.24 -24.34 61.36 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.776 1.23 . . . . 0.0 114.199 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.9 m -64.63 -23.3 67.22 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.706 0.803 . . . . 0.0 112.606 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 m -105.09 14.41 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.809 1.644 . . . . 0.0 113.418 168.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.61 28.13 36.63 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.169 1.366 . . . . 0.0 116.148 168.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 132.53 44.48 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.181 1.49 . . . . 0.0 111.202 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -88.27 -32.58 18.42 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -84.8 171.63 12.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.621 1.568 . . . . 0.0 114.377 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -108.47 4.83 24.67 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.499 1.919 . . . . 0.0 113.824 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.98 142.34 28.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.072 2.149 . . . . 0.0 106.378 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -144.03 152.56 41.17 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.25 1.0 OUTLIER -77.01 158.79 30.37 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 166.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.9 mmm -60.74 -34.11 73.94 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.883 -1.136 . . . . 0.0 112.493 174.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -67.99 -41.95 81.51 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.851 0.861 . . . . 0.0 111.917 172.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.88 -41.99 99.61 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.862 0.755 . . . . 0.0 112.778 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.405 HG13 HD21 ' A' ' 40' ' ' LEU . 55.0 t -61.94 -49.98 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.294 175.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.28 -45.21 88.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.394 0.997 . . . . 0.0 111.347 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -54.39 -56.89 14.09 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -64.76 -36.86 85.68 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 175.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.79 -42.91 97.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.238 1.015 . . . . 0.0 111.368 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.07 -43.31 98.96 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 123.752 0.691 . . . . 0.0 112.905 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.35 -33.86 73.02 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.7 1.25 . . . . 0.0 113.177 173.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -67.86 -49.49 61.81 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 173.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.56 -40.57 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.202 1.001 . . . . 0.0 111.08 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 31.8 ttm -61.81 -57.9 10.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.93 1.692 . . . . 0.0 111.986 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -63.41 -32.0 73.31 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -80.18 -15.7 56.48 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.834 1.654 . . . . 0.0 114.336 173.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 51.55 48.88 22.05 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.872 2.069 . . . . 0.0 113.484 -174.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.2 mt -75.44 -7.71 54.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -65.87 150.16 49.04 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.13 149.46 49.58 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -72.18 -38.76 69.03 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.844 -1.16 . . . . 0.0 112.62 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -87.56 -31.61 19.8 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.396 1.478 . . . . 0.0 114.466 -172.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -130.53 89.53 2.79 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.127 1.371 . . . . 0.0 108.89 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -70.61 -4.98 25.97 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -168.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -84.21 -8.41 59.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.844 1.258 . . . . 0.0 113.159 168.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.3 mt -96.53 138.94 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 120.138 1.335 . . . . 0.0 109.748 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 t -121.81 134.17 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.27 1.828 . . . . 0.0 112.453 -176.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -125.41 124.05 40.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.84 2.056 . . . . 0.0 114.3 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.0 t -156.67 48.69 0.46 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.652 0.739 . . . . 0.0 111.907 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.4 p -59.88 136.32 57.97 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.96 -1.088 . . . . 0.0 112.333 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 56.6 21.79 6.08 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.231 1.813 . . . . 0.0 115.835 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -132.96 167.66 19.87 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.975 1.31 . . . . 0.0 112.114 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.0 tp -47.62 -40.79 20.44 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -166.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.61 -40.83 84.68 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.807 1.185 . . . . 0.0 112.297 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.84 -33.86 66.08 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.391 0.52 . . . . 0.0 112.428 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.07 -34.37 77.89 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.9 mt -70.46 -57.42 4.81 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.725 1.21 . . . . 0.0 112.149 170.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.28 46.1 m-85 -68.21 -19.69 64.78 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 -178.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.9 16.87 80.37 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.404 1.002 . . . . 0.0 114.249 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 m -143.57 151.22 53.42 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.967 1.707 . . . . 0.0 109.485 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.1 -25.15 22.86 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.396 2.731 . . . . 0.0 113.189 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.4 p -158.17 159.78 36.51 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.207 1.403 . . . . 0.0 112.601 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -157.79 171.18 20.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.194 1.397 . . . . 0.0 107.749 174.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.6 t -118.04 132.16 56.39 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.365 -0.834 . . . . 0.0 112.257 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.9 t -58.13 -22.43 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.541 1.536 . . . . 0.0 113.339 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -60.89 -22.75 64.62 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.251 1.421 . . . . 0.0 113.026 171.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -84.37 -1.13 54.99 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -170.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 35.08 -85.66 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.432 2.693 . . . . 0.0 116.249 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.2 mtm-85 -47.37 -41.72 20.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.031 1.732 . . . . 0.0 114.183 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -64.28 -41.1 97.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.312 0.645 . . . . 0.0 111.014 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.02 -46.14 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.516 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -60.79 -43.31 98.26 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.805 1.184 . . . . 0.0 110.942 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.287 1.0 OUTLIER -68.41 -37.25 80.15 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 177.646 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.8 mtm -67.91 -45.13 75.28 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.409 -0.807 . . . . 0.0 112.105 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -72.09 -20.86 61.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.933 0.893 . . . . 0.0 112.246 -173.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.26 69.03 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.564 -0.71 . . . . 0.0 112.889 170.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.2 p -67.81 -15.93 63.86 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.932 -1.105 . . . . 0.0 113.181 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.637 ' HB3' HD22 ' A' ' 40' ' ' LEU . 47.1 mtt -80.06 -8.62 59.48 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.785 -1.197 . . . . 0.0 112.869 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 p -135.55 -14.65 1.92 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.33 -124.46 0.86 Allowed Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.338 0.97 . . . . 0.0 113.526 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.88 -179.64 51.04 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.346 1.45 . . . . 0.0 114.351 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -76.58 39.55 0.21 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.683 1.593 . . . . 0.0 112.736 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -78.18 138.3 38.61 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.787 2.035 . . . . 0.0 112.521 -170.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -156.27 163.96 38.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.249 1.42 . . . . 0.0 112.173 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.33 0 C-N-CA 125.37 1.462 . . . . 0.0 113.714 -179.588 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -67.54 157.93 59.49 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.375 2.717 . . . . 0.0 112.583 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -133.7 5.23 3.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.88 1.672 . . . . 0.0 115.08 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -43.73 -46.7 7.69 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 172.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -65.85 -26.29 67.59 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -65.12 -41.62 94.69 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.507 1.049 . . . . 0.0 111.119 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -63.81 -43.1 97.28 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 170.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -69.14 -42.18 76.34 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.354 0.662 . . . . 0.0 111.557 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.14 -34.19 68.16 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.848 1.259 . . . . 0.0 112.79 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.46 -37.84 82.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.83 1.252 . . . . 0.0 111.762 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.49 -46.27 86.91 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.942 1.297 . . . . 0.0 111.572 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.7 mtm -74.45 -34.85 63.29 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.525 0.73 . . . . 0.0 111.485 -172.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -73.81 -10.87 60.11 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.969 1.308 . . . . 0.0 113.572 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.04 24.0 72.92 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.096 0.855 . . . . 0.0 114.56 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.29 28.18 0.83 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.356 1.931 . . . . 0.0 117.215 -169.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.82 128.8 4.92 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-N 119.009 1.404 . . . . 0.0 112.237 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.4 mp0 -73.97 -9.84 59.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.53 1.532 . . . . 0.0 114.105 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -72.21 72.94 0.93 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.487 1.515 . . . . 0.0 111.587 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.02 6.59 0.6 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.825 1.65 . . . . 0.0 113.687 -174.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -65.98 -27.49 68.18 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 -174.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -64.49 153.64 38.3 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 170.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -144.12 143.11 30.98 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.915 1.286 . . . . 0.0 111.251 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.29 -151.0 15.42 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.652 1.12 . . . . 0.0 112.661 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.8 ptm -74.75 9.23 1.93 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 t -149.97 168.8 22.78 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.423 1.489 . . . . 0.0 112.224 -175.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.9 t 64.88 124.38 0.02 OUTLIER Pre-proline 0 N--CA 1.479 0.995 0 C-N-CA 128.469 2.708 . . . . 0.0 113.891 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.9 136.47 16.7 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.724 2.949 . . . . 0.0 111.247 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.398 0.2 OUTLIER -74.63 39.94 0.13 Allowed 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 178.064 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -114.35 -11.27 12.56 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 117.348 2.351 . . . . 0.0 117.348 -169.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.17 -152.78 9.28 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.17 1.367 . . . . 0.0 114.202 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 53.67 39.68 30.49 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.813 1.645 . . . . 0.0 114.021 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -144.1 143.64 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.222 1.409 . . . . 0.0 113.292 -174.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 p -128.83 -4.66 5.15 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -174.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.21 134.23 56.34 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.0 m -72.39 -26.21 61.79 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -76.52 155.18 33.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.752 1.221 . . . . 0.0 112.898 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.96 151.33 65.06 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 125.992 1.717 . . . . 0.0 111.427 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.06 127.54 13.7 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.987 2.458 . . . . 0.0 112.298 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -21.71 65.53 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.4 m -71.84 -12.4 61.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.269 1.427 . . . . 0.0 114.767 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . 0.256 22.3 pt-20 48.05 35.1 4.75 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.943 2.097 . . . . 0.0 115.254 173.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 pm0 -74.81 -5.68 44.82 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -54.88 134.81 48.45 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.29 143.23 48.8 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 117.77 2.507 . . . . 0.0 117.77 -169.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.7 148.52 42.61 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.225 1.01 . . . . 0.0 111.563 169.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.64 -20.68 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -174.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 51.7 70.33 2.0 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 127.018 2.127 . . . . 0.0 113.219 -169.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.479 ' CB ' HD23 ' A' ' 40' ' ' LEU . 36.4 Cg_endo -71.51 163.99 37.19 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.092 2.528 . . . . 0.0 113.926 -173.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -58.15 150.07 53.92 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 124.625 1.17 . . . . 0.0 112.524 176.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -61.46 -31.29 87.86 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.674 2.249 . . . . 0.0 112.62 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.67 -40.53 95.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.663 1.185 . . . . 0.0 112.47 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 112' ' ' MET . 57.3 tp -70.79 -48.31 54.9 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.879 0.872 . . . . 0.0 111.282 173.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.6 tp -53.89 -39.53 65.84 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.038 0.935 . . . . 0.0 112.135 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.89 -41.24 82.16 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.213 1.005 . . . . 0.0 112.99 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tt -65.09 -43.43 92.14 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.048 0.939 . . . . 0.0 111.707 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.62 -42.56 99.66 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.678 0.672 . . . . 0.0 111.291 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -73.84 -21.13 60.23 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.418 1.087 . . . . 0.0 113.832 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 m -65.0 -21.44 66.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.662 0.785 . . . . 0.0 112.445 168.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 m -108.04 19.35 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.689 1.596 . . . . 0.0 113.74 169.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.1 23.62 47.97 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 116.898 1.519 . . . . 0.0 116.898 168.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.55 133.91 56.26 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 119.106 1.453 . . . . 0.0 111.851 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -85.74 -52.21 5.93 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.236 -0.915 . . . . 0.0 113.379 -170.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.53 171.14 15.04 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.69 1.996 . . . . 0.0 112.849 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -99.43 -3.19 34.27 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -138.02 145.15 41.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.201 1.401 . . . . 0.0 108.415 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -147.39 161.58 40.73 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.926 1.69 . . . . 0.0 115.094 -172.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -83.87 166.03 18.25 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.269 1.428 . . . . 0.0 114.005 168.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.4 mmt -54.54 -43.13 71.68 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.497 1.044 . . . . 0.0 112.647 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -60.57 -48.33 82.23 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.644 1.178 . . . . 0.0 111.516 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.59 -40.02 84.82 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.47 HG11 HD21 ' A' ' 40' ' ' LEU . 97.8 t -62.59 -49.3 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.34 0.518 . . . . 0.0 110.042 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.28 -42.2 90.71 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.639 0.654 . . . . 0.0 110.993 176.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -53.99 -58.71 6.29 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -58.76 -39.43 80.97 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.1 tp -65.74 -44.54 85.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.48 1.112 . . . . 0.0 111.896 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.19 98.05 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 123.65 0.643 . . . . 0.0 112.772 174.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -63.36 -32.15 73.49 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.144 0.972 . . . . 0.0 112.513 172.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -65.81 -49.47 68.15 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 169.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.6 mt -60.39 -38.1 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.389 1.076 . . . . 0.0 111.272 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.0 ttm -62.86 -57.48 10.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.298 1.439 . . . . 0.0 111.958 173.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -67.38 -35.45 79.35 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -80.76 -10.24 59.74 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.836 1.254 . . . . 0.0 113.55 170.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 54.8 46.5 24.4 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.3 2.64 . . . . 0.0 113.045 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.1 mt -78.64 -6.29 55.29 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -74.43 151.76 39.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 174.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -67.03 129.8 41.07 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.693 -1.254 . . . . 0.0 112.322 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -61.35 -29.06 69.66 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.202 -0.936 . . . . 0.0 112.835 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -81.59 -68.08 0.72 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.603 1.161 . . . . 0.0 111.206 172.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -83.76 81.43 8.76 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.23 1.012 . . . . 0.0 110.951 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -58.6 -23.67 59.29 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.777 1.231 . . . . 0.0 112.848 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -84.2 5.93 24.58 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.678 1.591 . . . . 0.0 114.447 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.8 mt -126.12 130.98 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 120.075 1.307 . . . . 0.0 110.447 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 p -105.63 139.87 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.434 1.493 . . . . 0.0 111.501 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.322 70.7 m-85 -110.5 59.95 0.61 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.661 1.984 . . . . 0.0 116.136 -172.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.8 p -67.72 48.61 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.589 2.355 . . . . 0.0 115.688 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -85.47 124.21 31.8 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.562 -1.336 . . . . 0.0 111.92 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 54.8 26.37 7.62 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.134 1.774 . . . . 0.0 115.621 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -120.59 179.87 4.2 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.188 1.795 . . . . 0.0 113.574 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 63.9 tp -56.35 -40.82 75.12 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.524 -0.735 . . . . 0.0 111.872 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.1 tp -64.89 -37.33 87.27 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.46 -34.55 90.24 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.177 0.894 . . . . 0.0 113.09 170.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.41 -32.82 73.97 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 171.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.07 -57.82 4.16 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.807 0.843 . . . . 0.0 112.285 169.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.273 38.7 m-85 -75.67 -24.06 56.29 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 118.611 2.819 . . . . 0.0 118.611 -175.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.44 17.37 78.94 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 123.949 0.785 . . . . 0.0 114.887 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.45 152.15 68.38 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 125.825 1.65 . . . . 0.0 109.521 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.31 -18.77 17.81 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.908 3.072 . . . . 0.0 113.805 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.4 p -166.34 159.77 15.12 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.712 1.605 . . . . 0.0 111.556 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -155.65 152.64 28.91 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.598 0.713 . . . . 0.0 112.096 168.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 p -80.14 127.78 32.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.576 1.15 . . . . 0.0 112.052 169.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.433 ' HA ' HD11 ' A' ' 105' ' ' ILE . 63.3 t -72.26 -21.06 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.839 2.056 . . . . 0.0 112.561 -175.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.98 -34.54 71.94 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -84.74 94.44 8.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.654 0.782 . . . . 0.0 112.661 -172.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -50.98 -54.1 27.41 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.544 1.538 . . . . 0.0 113.103 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -56.97 -43.38 81.56 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.737 1.215 . . . . 0.0 112.66 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.57 -47.82 84.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.386 1.474 . . . . 0.0 111.86 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 99' ' ' VAL . 68.9 mt -74.36 -40.05 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 122.875 0.47 . . . . 0.0 111.162 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.68 -41.12 97.13 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.295 1.2 t -69.45 -34.65 74.7 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 173.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.24 -27.94 64.85 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.055 -1.028 . . . . 0.0 113.319 169.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.7 mmt -65.29 -32.22 73.77 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.383 0.992 . . . . 0.0 113.063 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.77 -30.67 70.95 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.572 -0.705 . . . . 0.0 112.765 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.5 t -71.24 -18.67 62.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.428 1.091 . . . . 0.0 113.121 172.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.602 ' HB3' HD22 ' A' ' 40' ' ' LEU . 43.5 mtt -88.64 -1.69 58.2 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.468 -1.395 . . . . 0.0 114.217 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 p -133.84 7.45 3.76 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -169.49 -176.87 39.67 Favored Glycine 0 CA--C 1.536 1.353 0 O-C-N 121.334 -0.854 . . . . 0.0 114.716 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.0 154.65 22.46 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.47 1.51 . . . . 0.0 114.202 -177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -78.45 46.22 0.62 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.456 1.902 . . . . 0.0 113.167 -176.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -78.77 48.77 0.84 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.165 1.786 . . . . 0.0 113.68 -171.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 64.1 ttp -68.9 -29.43 67.71 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.119 1.368 . . . . 0.0 113.317 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 125.697 1.617 . . . . 0.0 112.997 178.627 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 18.5 tpt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 118.869 -0.586 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -67.29 141.14 55.62 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.808 2.338 . . . . 0.0 111.755 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -73.89 -5.55 41.82 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -51.76 -51.39 56.59 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 174.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -69.72 -34.56 74.04 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -168.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.6 -33.09 75.12 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.789 1.177 . . . . 0.0 112.258 175.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -69.93 -41.8 74.13 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 168.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -69.32 -36.91 77.44 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.349 0.66 . . . . 0.0 112.014 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.78 -32.43 71.75 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.72 -1.238 . . . . 0.0 112.464 175.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -68.29 -21.43 64.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.569 1.148 . . . . 0.0 112.887 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.26 -59.1 5.18 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.798 0.726 . . . . 0.0 110.719 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.1 ptp -69.64 -34.1 73.56 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.137 0.426 . . . . 0.0 111.771 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -74.57 -34.2 62.86 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.354 1.062 . . . . 0.0 112.908 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.79 -2.4 69.57 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.28 1.419 . . . . 0.0 115.316 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.64 33.18 1.01 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 126.247 1.88 . . . . 0.0 116.774 -169.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.77 45.62 1.92 Allowed Glycine 0 CA--C 1.538 1.53 0 C-N-CA 126.261 1.886 . . . . 0.0 115.172 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.269 21.7 pt-20 50.19 25.65 1.86 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.991 2.516 . . . . 0.0 115.916 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -70.99 -6.47 39.07 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 tp -80.38 58.24 3.06 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.923 1.289 . . . . 0.0 113.012 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.272 3.3 p90 -98.11 -7.94 28.62 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 171.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -60.97 96.12 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -173.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 56.84 40.53 28.92 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.223 1.409 . . . . 0.0 111.647 -168.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.71 -175.2 43.56 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.431 1.491 . . . . 0.0 113.885 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 77.7 mtm -77.91 -14.64 59.48 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.7 m -78.48 50.35 0.94 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.743 1.217 . . . . 0.0 114.188 -175.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 t 68.57 138.69 0.06 OUTLIER Pre-proline 0 N--CA 1.481 1.086 0 C-N-CA 126.126 1.771 . . . . 0.0 113.742 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -53.99 129.54 34.8 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 123.432 2.755 . . . . 0.0 112.76 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -69.27 -23.21 63.81 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -148.73 137.13 21.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.182 1.793 . . . . 0.0 111.309 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.1 -132.16 39.47 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 123.751 0.691 . . . . 0.0 112.976 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.07 166.51 25.89 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.376 1.47 . . . . 0.0 111.921 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -62.33 156.67 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.958 0.903 . . . . 0.0 113.194 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.291 1.1 p -60.54 143.68 53.14 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -78.39 161.11 27.39 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.7 p -139.32 145.2 38.78 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.643 1.177 . . . . 0.0 112.554 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -106.5 2.3 26.14 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.291 1.836 . . . . 0.0 113.049 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.8 pt -141.13 150.51 59.08 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 126.658 1.983 . . . . 0.0 111.288 -174.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.01 147.65 68.19 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.484 2.789 . . . . 0.0 113.439 -176.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.59 155.19 33.96 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.736 1.214 . . . . 0.0 111.94 169.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -67.6 143.91 55.83 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -82.15 66.43 7.73 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.172 1.389 . . . . 0.0 111.294 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -66.51 134.71 52.98 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.085 0.954 . . . . 0.0 112.739 -177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -85.67 -4.61 59.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.734 1.214 . . . . 0.0 114.179 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.64 129.24 40.99 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 116.674 2.101 . . . . 0.0 116.674 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.6 mt -86.05 126.24 34.03 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.379 1.072 . . . . 0.0 111.288 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.08 -24.91 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -170.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? 56.01 73.17 0.87 Allowed Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 126.863 2.065 . . . . 0.0 112.821 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.61 160.54 43.89 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.093 2.529 . . . . 0.0 112.653 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -57.53 148.85 53.58 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.59 1.156 . . . . 0.0 112.065 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -62.34 -31.68 81.56 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.708 2.272 . . . . 0.0 112.84 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.57 -39.85 95.46 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.389 1.076 . . . . 0.0 112.348 174.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.6 tp -71.2 -45.21 63.84 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.713 0.805 . . . . 0.0 111.153 174.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -53.16 -45.9 68.64 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.88 -0.581 . . . . 0.0 111.406 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -56.85 -36.02 69.53 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.327 1.051 . . . . 0.0 113.448 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tt -62.67 -37.56 86.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.663 0.785 . . . . 0.0 111.414 172.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.01 -42.16 81.13 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.976 0.91 . . . . 0.0 111.485 170.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -32.94 70.18 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.53 -1.356 . . . . 0.0 112.187 176.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 m -64.74 -17.71 64.39 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.788 1.235 . . . . 0.0 113.792 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 m -113.81 21.15 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 125.861 1.665 . . . . 0.0 112.243 170.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.07 22.34 57.55 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 130.08 43.31 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 119.085 1.442 . . . . 0.0 110.933 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -93.21 -37.95 11.81 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.099 1.888 . . . . 0.0 116.099 -168.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -77.66 170.41 16.62 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.874 1.67 . . . . 0.0 112.17 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -102.57 -2.58 28.21 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 168.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -145.07 147.57 32.72 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.982 1.713 . . . . 0.0 107.443 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -147.74 161.67 40.74 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.681 1.593 . . . . 0.0 114.386 -169.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -80.52 161.77 24.65 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 166.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.7 mtp -55.57 -39.91 71.29 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.654 -1.279 . . . . 0.0 112.832 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -65.68 -42.77 90.89 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.254 1.021 . . . . 0.0 111.744 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.15 -43.58 94.78 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.4 t -63.07 -48.82 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.518 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.1 mt -57.69 -41.63 82.04 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.96 0.8 . . . . 0.0 111.925 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.251 26.3 t80 -55.11 -56.77 16.16 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 171.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -61.89 -41.8 98.32 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.0 -43.69 98.07 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.614 1.166 . . . . 0.0 111.497 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.04 -42.98 99.76 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.55 0.595 . . . . 0.0 112.879 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -64.58 -32.68 74.43 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.205 1.402 . . . . 0.0 112.525 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -68.59 -50.08 54.37 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.709 0.804 . . . . 0.0 112.287 173.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.19 -41.44 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 111.217 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 48.1 ttm -61.8 -55.37 30.76 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.317 1.447 . . . . 0.0 112.197 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -66.68 -34.44 77.87 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -76.61 -13.14 60.09 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.576 1.55 . . . . 0.0 113.77 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 53.45 44.55 29.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.402 2.281 . . . . 0.0 113.201 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.9 mt -75.69 -8.18 56.17 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -63.73 149.06 47.56 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.988 1.848 . . . . 0.0 115.988 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -63.64 148.03 50.03 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.361 -0.837 . . . . 0.0 111.426 169.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -67.58 -34.58 77.33 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.747 -1.221 . . . . 0.0 112.094 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -89.43 -59.86 2.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.139 1.376 . . . . 0.0 110.735 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -96.4 78.03 3.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.786 1.234 . . . . 0.0 109.923 176.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -65.91 -12.85 57.73 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.276 -0.89 . . . . 0.0 113.334 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -77.31 -3.02 37.81 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.231 1.412 . . . . 0.0 113.696 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.3 mt -108.19 127.28 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.687 1.595 . . . . 0.0 109.957 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.9 t -99.74 131.15 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.519 1.528 . . . . 0.0 110.529 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.257 45.5 m-85 -98.76 92.34 5.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.366 1.866 . . . . 0.0 115.481 173.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -79.07 -13.84 59.51 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.513 1.525 . . . . 0.0 113.046 -175.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -55.48 141.26 37.48 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.348 1.459 . . . . 0.0 113.762 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 57.38 20.27 5.79 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.673 1.989 . . . . 0.0 115.402 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -128.43 165.74 20.07 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.988 1.715 . . . . 0.0 113.647 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.3 tp -49.52 -38.99 32.62 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.593 1.157 . . . . 0.0 112.182 170.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.8 tp -59.61 -35.93 75.31 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.02 -30.43 72.16 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.025 0.821 . . . . 0.0 113.107 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -67.72 -29.88 69.23 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 170.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.94 -66.27 0.81 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.922 0.889 . . . . 0.0 111.332 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.301 32.2 m-85 -68.09 -21.59 64.95 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 -172.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.91 17.38 75.32 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 123.881 0.753 . . . . 0.0 114.856 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 m -136.68 153.97 76.2 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 126.109 1.764 . . . . 0.0 109.694 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.13 -28.34 23.6 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.129 2.553 . . . . 0.0 112.957 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -163.93 163.5 23.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.352 1.461 . . . . 0.0 112.343 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -154.39 154.83 33.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.259 1.024 . . . . 0.0 109.993 170.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.8 t -88.16 127.86 35.44 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.509 0.724 . . . . 0.0 111.335 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.39 -23.59 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.681 1.592 . . . . 0.0 112.446 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.53 -26.02 66.57 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.895 1.278 . . . . 0.0 113.62 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -79.44 55.13 1.86 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.415 1.086 . . . . 0.0 112.44 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -51.13 -43.73 61.22 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.309 1.044 . . . . 0.0 112.177 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.4 ptt85 -54.61 -35.16 63.09 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.317 1.847 . . . . 0.0 115.128 174.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -80.28 -45.32 18.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.733 1.213 . . . . 0.0 110.421 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.24 -41.27 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.751 0.82 . . . . 0.0 111.007 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -56.63 -45.15 81.7 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.294 0.7 OUTLIER -68.79 -36.5 78.34 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 173.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 67.1 mtm -64.44 -41.22 96.69 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.555 -0.716 . . . . 0.0 112.154 172.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.4 mmm -66.71 -43.07 85.3 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.893 0.877 . . . . 0.0 111.915 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.35 72.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.502 0.721 . . . . 0.0 112.62 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -69.07 -16.21 63.63 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.3 mtt -92.09 5.81 48.85 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.353 0.8 OUTLIER -125.73 126.19 44.21 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.593 1.557 . . . . 0.0 113.118 -178.122 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.14 -165.52 21.28 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 123.725 0.679 . . . . 0.0 112.31 -167.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.72 15.86 60.44 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 117.003 1.561 . . . . 0.0 117.003 169.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -69.74 -23.8 63.45 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 118.864 1.332 . . . . 0.0 113.377 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -65.43 139.38 58.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.663 1.185 . . . . 0.0 112.146 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 77.4 mtm -139.09 156.5 47.11 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.733 1.613 . . . . 0.0 111.912 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 C-N-CA 125.251 1.405 . . . . 0.0 112.943 -179.388 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 62.3 tpp . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -59.2 156.24 35.96 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.696 2.93 . . . . 0.0 114.577 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -135.65 159.92 40.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.997 1.319 . . . . 0.0 113.859 -175.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -49.35 -45.59 45.84 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 117.871 2.545 . . . . 0.0 117.871 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -57.96 -22.9 51.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.93 -37.3 81.82 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.159 0.984 . . . . 0.0 112.827 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -68.02 -42.16 81.07 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -69.5 -36.38 76.44 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.229 0.612 . . . . 0.0 111.403 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.56 -29.7 69.33 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.852 -1.155 . . . . 0.0 112.398 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -72.76 -18.3 61.51 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.922 0.889 . . . . 0.0 112.931 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.02 -49.37 67.96 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.713 1.142 . . . . 0.0 110.493 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.441 ' SD ' ' HE2' ' A' ' 57' ' ' LYS . 14.5 ptp -78.14 -33.34 50.44 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -172.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -90.49 -27.51 19.17 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.51 5.61 84.5 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.33 1.443 . . . . 0.0 114.975 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.98 115.69 7.67 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-N 118.776 1.288 . . . . 0.0 111.517 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.44 11.96 84.76 Favored Glycine 0 CA--C 1.54 1.619 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -67.81 -73.23 0.15 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.401 1.6 . . . . 0.0 111.872 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -169.61 139.29 2.01 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.433 1.893 . . . . 0.0 111.348 168.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.3 mt -146.91 40.01 1.05 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.802 2.041 . . . . 0.0 110.428 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.268 3.3 p90 -56.87 -16.12 6.1 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 118.424 2.75 . . . . 0.0 118.424 -174.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -60.77 -23.73 65.22 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.839 2.162 . . . . 0.0 116.839 170.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -94.31 4.79 53.4 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 125.056 1.343 . . . . 0.0 112.373 170.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.72 -175.95 53.05 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.155 1.36 . . . . 0.0 113.923 -173.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.9 ptp 49.58 28.91 2.74 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 127.274 2.23 . . . . 0.0 115.933 174.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.6 t 64.65 -51.47 0.31 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 128.436 2.694 . . . . 0.0 116.048 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.9 t -146.13 128.55 7.88 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 127.964 2.506 . . . . 0.0 109.97 174.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.89 -28.9 7.36 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.459 2.773 . . . . 0.0 113.963 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.68 131.21 46.29 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -174.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -81.07 57.32 3.08 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.717 1.207 . . . . 0.0 112.269 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.27 -139.24 46.74 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.474 1.035 . . . . 0.0 113.102 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.23 4.03 16.15 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 173.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.4 0.3 OUTLIER 61.1 -8.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 118.803 2.89 . . . . 0.0 118.803 -178.737 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.285 0.4 OUTLIER -63.31 154.44 31.69 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 178.07 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.3 0.2 OUTLIER -73.95 15.45 0.3 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 178.721 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.8 p -65.85 -33.11 75.1 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.854 -1.154 . . . . 0.0 113.841 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 59.7 -21.56 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 128.957 2.903 . . . . 0.0 117.618 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.2 pt -68.82 148.26 97.95 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 124.962 1.305 . . . . 0.0 112.605 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.51 -24.36 10.58 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.118 2.545 . . . . 0.0 113.377 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.79 147.17 43.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.486 1.114 . . . . 0.0 113.221 -177.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.2 m -132.49 23.94 4.4 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.021 1.729 . . . . 0.0 112.69 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -77.15 -8.39 57.44 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.126 1.37 . . . . 0.0 114.505 -172.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -135.74 166.23 23.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.143 1.777 . . . . 0.0 111.936 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.42 124.87 21.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.302 1.041 . . . . 0.0 111.955 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.36 131.12 53.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.537 1.535 . . . . 0.0 113.947 176.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.47 144.58 32.04 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.648 1.179 . . . . 0.0 112.717 -168.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -100.25 -25.07 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -177.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 47.54 72.1 1.37 Allowed Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 127.414 2.286 . . . . 0.0 112.618 -174.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.22 165.89 30.99 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.0 2.466 . . . . 0.0 112.919 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -58.4 146.21 72.81 Favored Pre-proline 0 N--CA 1.478 0.945 0 C-N-CA 124.154 0.982 . . . . 0.0 112.16 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -63.43 -26.2 70.69 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.204 2.603 . . . . 0.0 113.649 -175.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.85 -38.57 82.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.06 0.944 . . . . 0.0 112.134 173.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.71 -43.15 56.55 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.184 0.594 . . . . 0.0 111.354 176.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.52 -40.55 68.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.694 0.798 . . . . 0.0 112.273 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.85 -37.06 80.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.966 0.906 . . . . 0.0 113.01 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.6 -41.33 88.63 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.904 0.882 . . . . 0.0 111.677 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.8 -41.42 91.16 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.085 0.857 . . . . 0.0 110.927 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -68.13 -20.54 64.91 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 172.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.6 m -66.87 -17.21 64.78 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.119 0.872 . . . . 0.0 112.609 169.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.64 16.27 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 126.007 1.723 . . . . 0.0 112.535 168.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.38 23.68 50.13 Favored Glycine 0 CA--C 1.533 1.202 0 N-CA-C 117.022 1.569 . . . . 0.0 117.022 168.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.45 121.65 15.77 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 119.393 1.596 . . . . 0.0 112.146 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -81.23 -34.04 32.44 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -168.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -70.33 166.59 19.89 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.919 1.287 . . . . 0.0 112.17 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -101.55 -5.82 24.67 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.062 1.745 . . . . 0.0 115.626 168.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.11 149.66 28.31 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -141.16 152.78 44.95 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.79 158.78 30.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.42 0.688 . . . . 0.0 112.614 166.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 32.4 ttm -61.19 -34.42 75.04 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.456 -1.402 . . . . 0.0 111.536 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' HE2' ' SD ' ' A' ' 0' ' ' MET . 14.1 tptm -62.12 -43.19 99.37 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.503 1.121 . . . . 0.0 111.055 175.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.26 -43.74 81.1 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.09 0.956 . . . . 0.0 113.193 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.78 -50.26 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.762 0.71 . . . . 0.0 110.444 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.14 -45.7 79.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.362 0.665 . . . . 0.0 111.186 173.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.254 39.9 t80 -52.55 -61.0 2.56 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 174.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -60.18 -40.1 88.81 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.987 1.847 . . . . 0.0 115.987 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.73 -46.67 81.25 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.267 1.027 . . . . 0.0 111.923 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.25 -40.26 96.54 Favored Glycine 0 CA--C 1.526 0.775 0 O-C-N 121.577 -0.702 . . . . 0.0 113.215 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -62.91 -35.82 81.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 117.676 0.738 . . . . 0.0 111.916 172.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -62.41 -51.9 65.71 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 170.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.0 mt -58.76 -42.09 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.59 1.156 . . . . 0.0 111.044 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.2 ttm -66.21 -54.13 28.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.701 1.201 . . . . 0.0 112.276 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -66.97 -33.65 76.04 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.0 -4.94 49.57 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.889 1.275 . . . . 0.0 113.66 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 53.3 44.45 30.11 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 127.46 2.304 . . . . 0.0 113.315 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.5 mt -76.68 -5.79 49.4 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -67.29 148.89 51.11 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -59.65 136.24 57.93 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -65.36 -26.14 67.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -84.89 -63.14 1.38 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.333 1.053 . . . . 0.0 111.726 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -96.77 109.5 22.16 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.086 0.954 . . . . 0.0 111.898 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.43 27.14 0.05 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.034 1.334 . . . . 0.0 114.337 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -141.7 -8.83 0.94 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.924 2.089 . . . . 0.0 112.909 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.8 mt -90.48 136.89 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 120.009 1.277 . . . . 0.0 108.377 171.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -121.28 131.31 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.627 1.571 . . . . 0.0 110.234 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 59.6 m-85 -99.05 137.71 37.19 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 175.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.0 p -153.42 37.95 0.48 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.756 1.223 . . . . 0.0 113.28 -171.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 t -70.75 120.73 16.79 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.505 -1.372 . . . . 0.0 111.979 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 55.41 29.65 13.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.307 1.843 . . . . 0.0 115.905 172.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -120.63 -179.23 3.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.518 1.527 . . . . 0.0 113.677 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.5 tp -55.24 -40.54 71.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.31 1.044 . . . . 0.0 112.884 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.5 -34.09 71.96 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.218 0.607 . . . . 0.0 112.417 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.24 -40.11 96.46 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.339 0.971 . . . . 0.0 113.133 171.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.72 -27.71 68.53 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 173.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.5 mt -76.33 -62.13 1.72 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.169 1.388 . . . . 0.0 112.328 171.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.297 29.6 m-85 -71.76 -20.15 61.92 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 117.671 2.471 . . . . 0.0 117.671 -177.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.88 18.86 80.13 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.378 0.99 . . . . 0.0 114.747 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.2 m -143.53 154.38 59.84 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 125.765 1.626 . . . . 0.0 110.053 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.5 -19.98 18.61 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.823 3.015 . . . . 0.0 113.723 173.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.1 p -163.18 160.71 24.45 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.753 1.621 . . . . 0.0 111.559 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -153.07 175.2 13.25 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.582 1.153 . . . . 0.0 108.349 174.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.8 t -130.14 131.06 45.51 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.294 -0.879 . . . . 0.0 113.012 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -3.21 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 126.182 1.793 . . . . 0.0 114.663 172.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -65.79 -30.05 70.63 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.507 1.123 . . . . 0.0 112.229 169.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -116.28 74.86 0.92 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.602 1.561 . . . . 0.0 112.621 -174.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -50.8 -34.36 27.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.781 1.232 . . . . 0.0 113.383 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.8 -37.63 43.67 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.878 1.671 . . . . 0.0 114.398 174.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -79.06 -40.5 31.1 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.99 0.916 . . . . 0.0 111.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.6 -43.53 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.116 0.566 . . . . 0.0 110.992 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -56.45 -43.66 79.74 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.255 0.9 OUTLIER -65.75 -34.73 78.84 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 174.251 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.5 mtm -74.13 -36.47 64.17 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.361 -0.837 . . . . 0.0 112.555 174.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 92.1 mmm -64.64 -40.59 95.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.635 0.774 . . . . 0.0 111.677 171.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.34 79.56 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.756 -0.59 . . . . 0.0 111.775 171.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.0 m -70.33 -6.13 32.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.8 mtt -93.79 -5.36 48.41 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.672 1.189 . . . . 0.0 114.052 171.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p -129.18 -39.93 1.51 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.574 1.55 . . . . 0.0 115.087 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -92.46 -178.73 41.15 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.01 1.767 . . . . 0.0 112.869 168.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.01 179.75 40.53 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.264 0.935 . . . . 0.0 114.343 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -76.52 159.17 30.6 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -91.12 171.8 9.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.816 1.246 . . . . 0.0 110.93 168.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.1 tpp -66.8 144.83 56.08 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.81 0.844 . . . . 0.0 111.813 171.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 C-N-CA 125.477 1.513 . . . . 0.0 114.141 -179.348 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 96.4 mmm . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.08 145.97 62.84 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.949 2.433 . . . . 0.0 112.033 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -67.43 -19.71 65.41 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.746 1.218 . . . . 0.0 112.937 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -43.18 -49.62 6.46 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 170.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -68.05 -32.14 72.29 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.82 -37.11 86.18 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.315 -0.865 . . . . 0.0 111.717 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -68.64 -45.57 71.47 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -67.27 -36.53 81.78 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.402 1.081 . . . . 0.0 111.965 -177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.59 -32.1 71.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.489 1.116 . . . . 0.0 112.291 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -70.86 -19.41 62.64 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.215 1.006 . . . . 0.0 112.433 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.44 -53.18 52.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.185 0.994 . . . . 0.0 111.401 169.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.1 ptp -76.45 -21.69 55.57 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -70.7 41.11 0.06 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.766 1.626 . . . . 0.0 114.166 170.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.19 9.72 38.58 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 125.558 1.552 . . . . 0.0 114.27 170.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.71 -40.12 1.8 Allowed Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.845 1.688 . . . . 0.0 114.066 -172.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.01 -148.77 18.23 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.459 1.504 . . . . 0.0 112.735 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 60.51 82.5 0.16 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.355 2.262 . . . . 0.0 113.351 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -49.6 122.79 6.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.183 1.793 . . . . 0.0 112.918 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.45 140.95 58.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.478 1.111 . . . . 0.0 112.752 -178.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -64.12 148.62 49.47 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.355 6.4 p90 -69.02 38.99 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 172.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -91.21 -16.99 26.78 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.369 1.468 . . . . 0.0 114.72 -173.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.79 36.52 74.8 Favored Glycine 0 CA--C 1.539 1.565 0 CA-C-N 118.79 0.723 . . . . 0.0 113.265 -170.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 mtt -137.04 165.01 27.03 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.89 1.676 . . . . 0.0 112.478 -171.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m -62.97 161.62 12.7 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.067 1.347 . . . . 0.0 113.085 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 t -59.09 126.17 80.64 Favored Pre-proline 0 N--CA 1.474 0.731 0 C-N-CA 123.654 0.782 . . . . 0.0 112.102 174.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.91 135.88 36.59 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.138 2.559 . . . . 0.0 112.065 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -37.96 73.71 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.93 2.196 . . . . 0.0 116.93 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.55 -21.63 63.61 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.92 -156.0 29.75 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.728 1.632 . . . . 0.0 113.773 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.04 53.95 0.82 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.591 1.556 . . . . 0.0 113.711 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.8 -12.18 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.09 171.94 8.61 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.822 2.049 . . . . 0.0 114.931 176.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.2 p -64.39 -13.3 50.16 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 171.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.6 t 62.92 159.21 0.07 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.199 2.2 . . . . 0.0 115.405 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -75.03 -29.97 60.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.521 1.128 . . . . 0.0 112.242 172.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.71 152.67 41.71 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 125.657 1.583 . . . . 0.0 112.26 -174.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -72.39 159.07 50.22 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.44 2.76 . . . . 0.0 113.211 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.47 -175.0 2.64 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.563 1.545 . . . . 0.0 112.805 171.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -71.31 11.92 0.39 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.603 1.961 . . . . 0.0 116.049 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 65.0 -24.8 0.09 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 128.735 2.814 . . . . 0.0 116.607 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -68.62 124.49 23.74 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.791 -1.193 . . . . 0.0 110.513 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -142.72 146.39 34.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.528 1.131 . . . . 0.0 113.243 -173.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.55 148.76 51.03 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -177.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.94 146.76 33.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.561 0.744 . . . . 0.0 111.094 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -100.18 -22.58 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -173.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 53.37 76.31 0.54 Allowed Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.85 2.06 . . . . 0.0 112.835 -168.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HB3' HD23 ' A' ' 40' ' ' LEU . 24.0 Cg_exo -62.61 155.54 58.07 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.374 2.716 . . . . 0.0 113.995 -174.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 43.3 mtmt -60.19 149.47 75.3 Favored Pre-proline 0 N--CA 1.479 0.987 0 C-N-CA 123.863 0.865 . . . . 0.0 111.549 169.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -61.11 -32.57 91.56 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.747 2.298 . . . . 0.0 112.814 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.46 -37.67 84.43 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.535 1.134 . . . . 0.0 112.383 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 112' ' ' MET . 53.8 tp -76.36 -46.35 27.87 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.733 0.813 . . . . 0.0 111.543 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.09 -38.44 68.11 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.627 0.771 . . . . 0.0 112.093 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -56.0 -42.06 75.83 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.316 1.046 . . . . 0.0 113.234 170.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.27 -44.64 87.4 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.002 0.921 . . . . 0.0 111.684 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mt -61.64 -42.68 99.24 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.859 0.754 . . . . 0.0 111.228 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.67 -21.53 61.06 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -66.06 -23.07 66.46 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.668 0.787 . . . . 0.0 112.741 168.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.2 m -104.53 16.28 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.668 1.587 . . . . 0.0 113.678 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.33 23.67 46.87 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 116.519 1.368 . . . . 0.0 116.519 169.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.56 133.75 55.53 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 119.199 1.5 . . . . 0.0 111.97 173.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -87.15 -45.55 10.57 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -169.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -89.22 173.66 8.28 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.799 2.04 . . . . 0.0 112.594 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -102.29 -3.93 26.44 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 p -135.95 145.15 45.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.206 1.402 . . . . 0.0 108.504 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -149.48 162.47 40.06 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.199 1.8 . . . . 0.0 114.767 -170.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -83.52 165.97 18.66 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.76 1.224 . . . . 0.0 113.286 167.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.4 mmt -53.29 -42.37 66.54 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.253 -0.905 . . . . 0.0 112.575 171.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.85 -44.17 86.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.159 0.984 . . . . 0.0 112.098 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -65.69 -41.01 92.91 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.52 -49.11 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.442 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 mt -58.92 -43.7 91.16 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.268 0.94 . . . . 0.0 111.3 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.268 31.0 t80 -51.41 -59.6 4.06 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 172.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -60.55 -41.67 94.99 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.54 -40.52 97.05 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.733 1.213 . . . . 0.0 111.554 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.56 -38.08 95.25 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 119.275 -0.736 . . . . 0.0 113.381 172.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -62.9 -37.61 87.64 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.8 1.3 . . . . 0.0 111.433 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -67.97 -47.53 68.35 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.226 0.61 . . . . 0.0 110.882 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.03 -39.06 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.012 0.925 . . . . 0.0 111.489 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.0 mtm -66.36 -54.77 20.62 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 173.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -64.46 -33.25 75.45 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -80.83 -12.28 59.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.752 1.621 . . . . 0.0 113.89 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 52.55 48.52 22.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.51 2.324 . . . . 0.0 113.56 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.0 mt -80.18 -5.61 56.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -176.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -67.53 146.35 54.02 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 170.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.9 130.98 45.44 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -62.58 -27.42 69.18 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -81.22 -62.39 1.67 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.703 1.201 . . . . 0.0 111.302 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -110.12 93.15 4.35 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.811 1.244 . . . . 0.0 111.225 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -66.07 -14.27 61.44 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.208 -0.932 . . . . 0.0 113.441 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -76.24 3.97 9.69 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.778 1.231 . . . . 0.0 113.777 169.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.4 mt -119.01 133.96 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.777 1.631 . . . . 0.0 109.411 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.8 t -106.93 133.74 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.451 1.5 . . . . 0.0 111.646 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.298 51.9 m-85 -103.5 83.69 2.2 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.418 1.887 . . . . 0.0 115.542 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 m -73.57 -15.52 61.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.157 1.783 . . . . 0.0 113.462 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -52.46 138.11 28.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.435 1.494 . . . . 0.0 114.292 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 58.55 16.23 4.12 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.951 2.1 . . . . 0.0 115.927 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -120.9 167.79 12.17 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.716 1.607 . . . . 0.0 113.761 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.97 -35.83 35.68 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.671 1.188 . . . . 0.0 112.463 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.79 -37.12 85.44 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.606 -0.684 . . . . 0.0 112.755 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.97 -36.46 51.98 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.188 0.899 . . . . 0.0 112.758 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.47 -31.55 71.52 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 170.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.19 -62.57 1.47 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.972 1.309 . . . . 0.0 112.262 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.263 43.7 m-85 -68.34 -24.77 64.85 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 -174.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.94 16.31 79.47 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.063 0.84 . . . . 0.0 114.738 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.28 153.41 68.8 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 125.995 1.718 . . . . 0.0 109.592 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.42 -25.5 21.42 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.381 2.721 . . . . 0.0 113.425 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.3 p -163.97 163.37 23.49 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.086 1.354 . . . . 0.0 112.675 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -154.41 157.69 38.89 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.472 1.109 . . . . 0.0 110.529 170.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.5 t -93.31 132.34 37.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.844 0.858 . . . . 0.0 111.969 169.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.22 -17.37 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.245 1.818 . . . . 0.0 113.742 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -62.67 -33.13 74.42 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 175.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -88.64 100.44 13.1 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 122.328 1.061 . . . . 0.0 113.083 172.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -68.62 -53.28 23.6 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.223 -176.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -57.14 -35.04 69.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.053 1.741 . . . . 0.0 113.362 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -64.6 -44.71 89.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.681 1.193 . . . . 0.0 111.221 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.8 mt -66.1 -47.46 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 119.038 -0.506 . . . . 0.0 110.92 173.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -55.33 -46.6 76.33 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -61.48 -40.65 95.33 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 75.2 mtm -67.44 -45.86 74.8 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.697 -0.627 . . . . 0.0 112.132 174.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -78.2 -21.13 50.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.722 0.809 . . . . 0.0 112.217 -173.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.58 -24.99 66.42 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.947 -1.096 . . . . 0.0 112.065 168.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -70.06 -16.34 63.13 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.717 -1.24 . . . . 0.0 112.26 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.488 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 35.9 mtt -83.63 4.0 30.35 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.112 1.365 . . . . 0.0 113.023 171.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p -130.98 -37.18 1.3 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.185 1.794 . . . . 0.0 114.567 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.52 -160.62 33.47 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.904 1.716 . . . . 0.0 114.69 169.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.5 131.17 3.33 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.592 1.568 . . . . 0.0 113.543 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -78.23 -39.87 39.02 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.137 0.975 . . . . 0.0 113.192 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -157.13 137.43 12.85 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.218 1.407 . . . . 0.0 111.436 -175.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 78.8 mtm -87.22 150.89 23.61 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.426 1.091 . . . . 0.0 112.342 171.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 C-N-CA 125.071 1.32 . . . . 0.0 113.056 178.256 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 60.3 ttm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -70.73 150.3 62.1 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.049 2.499 . . . . 0.0 112.113 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -66.04 -19.0 65.71 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.326 1.051 . . . . 0.0 112.827 173.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -44.91 -49.37 11.06 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 171.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -68.86 -30.77 69.36 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -172.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -65.18 -41.29 94.76 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.324 -0.86 . . . . 0.0 111.5 172.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -63.36 -41.78 98.85 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 169.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -70.12 -38.25 75.53 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.636 0.775 . . . . 0.0 111.668 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.69 -30.82 71.85 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.977 -1.077 . . . . 0.0 111.932 173.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -29.03 70.1 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.678 1.191 . . . . 0.0 112.91 177.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.37 -53.4 58.59 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.403 0.681 . . . . 0.0 111.299 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.3 ptp -81.24 -28.36 34.84 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -172.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.02 -39.0 30.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.473 1.109 . . . . 0.0 113.07 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.76 -50.36 6.03 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.868 0.747 . . . . 0.0 112.698 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.56 -179.04 5.09 Favored Glycine 0 CA--C 1.542 1.719 0 C-N-CA 125.25 1.405 . . . . 0.0 115.059 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.24 160.74 34.38 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 121.683 -0.892 . . . . 0.0 113.417 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.66 -14.25 57.45 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -170.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -71.25 -17.5 62.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.336 1.054 . . . . 0.0 113.508 173.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.97 135.63 36.99 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.273 1.029 . . . . 0.0 111.62 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.398 72.9 m-85 63.93 149.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 119.634 3.198 . . . . 0.0 119.634 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -89.83 -20.88 22.93 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 -177.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -156.84 165.59 35.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.765 1.626 . . . . 0.0 111.673 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.56 -132.97 12.1 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.969 0.795 . . . . 0.0 112.963 177.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.4 mmt -60.8 139.49 57.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.785 0.834 . . . . 0.0 112.135 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.0 t -68.14 -25.77 65.45 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.01 135.33 11.93 Favored Pre-proline 0 N--CA 1.474 0.732 0 C-N-CA 126.931 2.092 . . . . 0.0 111.34 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -78.82 48.54 2.82 Favored 'Trans proline' 0 CA--C 1.549 1.247 0 C-N-CA 124.781 3.654 . . . . 0.0 112.94 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -55.25 32.3 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.921 2.193 . . . . 0.0 116.921 -173.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -154.33 161.19 41.91 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -174.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.07 158.46 48.11 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.369 0.985 . . . . 0.0 114.111 175.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.21 154.0 41.27 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.332 1.053 . . . . 0.0 113.292 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -143.34 148.6 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 125.966 1.706 . . . . 0.0 110.892 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 p -87.22 -13.68 43.18 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 175.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 t -152.16 177.91 10.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.689 1.996 . . . . 0.0 112.947 -178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.6 t -69.54 91.76 0.6 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.226 1.011 . . . . 0.0 111.39 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -159.36 170.57 21.52 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.76 2.024 . . . . 0.0 111.148 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 pp -68.46 156.78 89.74 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.57 0.748 . . . . 0.0 111.756 168.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -57.74 125.41 18.61 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.161 2.574 . . . . 0.0 113.255 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.41 -32.58 54.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.589 0.756 . . . . 0.0 112.569 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 t -162.28 170.57 18.72 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.679 1.992 . . . . 0.0 110.119 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -145.35 150.88 37.39 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.657 1.583 . . . . 0.0 111.188 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -68.2 133.97 49.7 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.423 0.63 . . . . 0.0 111.792 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -78.63 46.88 0.68 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.837 1.655 . . . . 0.0 112.509 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.88 120.0 7.71 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.6 mt -90.62 138.43 31.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.651 0.78 . . . . 0.0 113.025 -168.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 m -99.05 -24.21 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 53.67 77.98 0.42 Allowed Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 126.949 2.1 . . . . 0.0 112.287 -168.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.431 ' CB ' HD23 ' A' ' 40' ' ' LEU . 58.7 Cg_endo -70.95 152.88 63.55 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 122.743 2.295 . . . . 0.0 111.842 176.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 0.1 OUTLIER -65.75 155.81 85.09 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 123.369 0.668 . . . . 0.0 111.956 178.229 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -57.5 -33.14 95.95 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.109 2.54 . . . . 0.0 114.444 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.7 tp -63.05 -34.37 77.42 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.301 1.041 . . . . 0.0 112.602 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 112' ' ' MET . 50.6 tp -76.9 -42.91 37.71 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 123.883 0.873 . . . . 0.0 111.252 174.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.3 tp -55.89 -40.15 72.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.207 0.603 . . . . 0.0 112.084 175.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -56.09 -45.44 79.39 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.051 0.94 . . . . 0.0 112.241 170.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.19 -45.47 88.2 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.854 0.861 . . . . 0.0 111.698 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.13 -43.3 99.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.707 0.803 . . . . 0.0 110.745 176.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -75.26 -19.14 59.88 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 p -64.54 -27.26 68.84 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 118.955 0.798 . . . . 0.0 112.195 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -99.51 14.91 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.399 1.48 . . . . 0.0 113.237 169.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.69 29.31 32.68 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 116.042 1.177 . . . . 0.0 116.042 169.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.35 136.49 57.94 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 119.211 1.505 . . . . 0.0 110.987 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -91.53 -17.72 25.23 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -167.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -104.9 169.63 8.33 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.826 2.051 . . . . 0.0 115.094 -171.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -93.43 -19.56 21.16 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.683 1.993 . . . . 0.0 116.172 169.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 p -142.93 152.29 41.87 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.704 2.002 . . . . 0.0 108.049 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -145.36 163.59 34.1 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.922 1.289 . . . . 0.0 114.42 -169.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -83.55 161.5 21.18 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.748 1.219 . . . . 0.0 114.117 166.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.1 mmt -54.79 -43.06 72.53 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.887 -1.133 . . . . 0.0 112.42 173.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -71.37 -33.83 69.89 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.233 1.013 . . . . 0.0 112.832 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.68 -45.05 84.32 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 170.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.88 -45.41 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.099 0.56 . . . . 0.0 109.98 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.65 -47.27 85.02 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.931 0.787 . . . . 0.0 111.539 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -52.46 -57.53 9.59 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 174.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -62.1 -38.17 87.86 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.6 tp -65.61 -41.45 92.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.911 0.885 . . . . 0.0 111.838 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.45 -42.2 99.72 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 121.432 -0.792 . . . . 0.0 112.672 173.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -61.09 -37.26 82.08 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 117.794 0.797 . . . . 0.0 112.664 171.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.06 -50.03 70.01 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.03 -37.45 77.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.296 1.038 . . . . 0.0 111.486 177.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.8 mtm -64.73 -52.18 58.41 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 173.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -66.5 -35.26 79.82 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -77.96 -19.38 54.65 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.816 1.646 . . . . 0.0 114.014 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 56.0 46.29 22.12 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.234 2.214 . . . . 0.0 113.404 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.7 mt -76.62 -12.03 59.95 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -67.11 151.83 46.87 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -65.3 130.54 43.71 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.387 -0.82 . . . . 0.0 111.543 167.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -56.45 -29.67 61.95 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -86.99 -64.44 1.15 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.21 1.004 . . . . 0.0 110.922 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -86.96 74.63 9.69 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.025 1.33 . . . . 0.0 110.351 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -67.57 -14.5 62.99 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.304 -0.873 . . . . 0.0 112.832 -174.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -80.15 4.04 18.63 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.131 1.372 . . . . 0.0 113.916 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.5 mt -124.99 129.93 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.527 1.531 . . . . 0.0 110.285 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.0 t -101.31 136.46 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.952 1.701 . . . . 0.0 110.626 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 73.9 m-85 -110.93 62.21 0.61 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.054 2.141 . . . . 0.0 115.042 -178.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.48 2.53 3.02 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -171.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.7 t -48.79 133.07 17.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.319 1.448 . . . . 0.0 113.869 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 59.93 1.09 0.3 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.634 2.374 . . . . 0.0 116.798 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -85.56 167.92 14.96 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 120.962 -1.087 . . . . 0.0 111.9 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.2 tp -53.37 -36.93 61.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.049 0.94 . . . . 0.0 111.418 168.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.88 -35.06 76.43 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.92 -36.54 92.98 Favored Glycine 0 CA--C 1.532 1.134 0 O-C-N 121.571 -0.706 . . . . 0.0 112.691 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.84 -26.92 65.4 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 171.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.5 mt -78.7 -53.68 6.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.075 1.35 . . . . 0.0 112.454 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.27 32.9 m-85 -70.32 -24.19 62.97 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 117.229 2.307 . . . . 0.0 117.229 175.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.59 19.42 79.88 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.468 1.032 . . . . 0.0 114.625 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.89 154.52 62.25 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 125.671 1.588 . . . . 0.0 110.209 -175.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -71.62 -24.0 22.44 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.379 2.72 . . . . 0.0 113.373 173.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.8 p -161.73 159.8 27.68 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.022 1.329 . . . . 0.0 112.171 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.52 153.67 31.85 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.961 0.904 . . . . 0.0 109.547 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.8 t -90.04 128.64 36.33 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.952 0.901 . . . . 0.0 112.284 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.94 -29.56 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.473 1.509 . . . . 0.0 113.122 172.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -66.38 -29.49 69.67 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.569 1.548 . . . . 0.0 112.532 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -80.82 60.65 4.16 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.453 1.501 . . . . 0.0 111.988 173.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -53.54 -41.58 66.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -169.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -62.14 -37.49 85.37 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.22 1.008 . . . . 0.0 113.054 -176.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -64.81 -42.91 94.62 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.955 0.902 . . . . 0.0 110.813 174.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.23 -47.85 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.007 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -57.06 -42.74 81.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.072 1.305 . . . . 0.0 113.275 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.289 0.8 OUTLIER -69.19 -36.19 77.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 175.295 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.2 mtm -69.72 -35.51 75.08 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.105 -0.997 . . . . 0.0 112.614 171.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 90.4 mmm -66.2 -40.36 90.32 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.467 1.107 . . . . 0.0 111.474 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.87 72.01 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.631 -0.668 . . . . 0.0 112.478 171.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.1 m -70.53 -14.95 62.72 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 172.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.495 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 45.3 mtt -81.83 -12.32 58.56 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.729 -1.232 . . . . 0.0 113.116 169.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.29 1.3 p -125.6 14.32 8.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.713 2.005 . . . . 0.0 115.619 -174.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -176.71 -166.63 34.1 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 125.063 1.316 . . . . 0.0 113.045 -177.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.41 -154.47 49.1 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.106 0.86 . . . . 0.0 113.813 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -145.48 148.57 33.4 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.453 1.501 . . . . 0.0 111.176 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -148.23 159.3 44.11 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.284 1.434 . . . . 0.0 111.873 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -153.76 159.23 41.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.351 1.46 . . . . 0.0 111.76 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 C-N-CA 125.293 1.425 . . . . 0.0 113.556 177.462 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 62.7 ttp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -68.78 153.53 72.86 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 122.931 2.421 . . . . 0.0 112.468 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -63.31 -24.24 67.77 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.93 1.292 . . . . 0.0 112.041 171.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -46.12 -48.83 17.2 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 172.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -66.45 -31.0 71.48 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -65.0 -41.47 95.36 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.319 -0.863 . . . . 0.0 111.668 173.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -64.69 -40.2 94.97 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 169.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -73.87 -33.98 64.27 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.139 0.976 . . . . 0.0 111.848 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 15.5 tp -63.21 -31.17 72.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.755 -1.215 . . . . 0.0 111.971 171.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -25.67 67.43 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.924 1.29 . . . . 0.0 112.31 178.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.22 -56.5 18.03 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.36 0.664 . . . . 0.0 111.281 170.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.6 ptp -72.49 -29.65 63.83 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -70.7 -36.25 73.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.547 1.139 . . . . 0.0 112.976 173.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.35 -40.99 17.85 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.186 0.898 . . . . 0.0 113.718 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.57 1.21 15.0 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 117.696 1.839 . . . . 0.0 117.696 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.4 -139.78 6.89 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 120.053 1.926 . . . . 0.0 114.102 -177.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -64.75 -6.85 8.89 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 -173.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -52.79 -33.58 49.44 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.577 1.551 . . . . 0.0 113.761 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.79 -20.56 65.86 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.98 1.312 . . . . 0.0 113.374 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -107.3 -39.31 5.72 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 171.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.285 13.6 t80 -53.71 -21.69 7.61 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 117.098 2.259 . . . . 0.0 117.098 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -54.06 -23.47 13.81 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.312 1.845 . . . . 0.0 113.959 168.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.68 -11.14 64.73 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.695 1.617 . . . . 0.0 114.149 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -152.78 160.04 43.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.591 2.356 . . . . 0.0 108.76 169.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.6 p -60.02 121.01 10.78 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t 64.59 117.85 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 127.575 2.35 . . . . 0.0 115.808 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -75.58 170.98 19.1 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 124.608 3.539 . . . . 0.0 112.621 174.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 t -54.74 160.43 1.88 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 169.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -58.93 151.86 20.86 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 -172.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -155.16 -174.2 24.79 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.083 1.325 . . . . 0.0 113.513 -178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.08 -41.42 0.15 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 128.645 2.778 . . . . 0.0 115.339 -169.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 m -64.91 127.88 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.231 1.013 . . . . 0.0 111.162 170.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.469 0.6 OUTLIER 58.45 5.61 0.46 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 118.855 2.909 . . . . 0.0 118.855 -176.024 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.354 0.2 OUTLIER -71.93 32.6 0.06 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -177.782 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -70.22 1.34 4.91 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.405 1.882 . . . . 0.0 115.308 -174.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -64.17 -25.75 68.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.535 1.534 . . . . 0.0 113.724 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.2 pt -116.38 158.07 43.98 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.684 1.593 . . . . 0.0 112.089 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -58.69 147.04 89.72 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.456 2.771 . . . . 0.0 113.781 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.61 -23.35 56.4 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.0 p -68.52 120.1 14.03 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.118 0.967 . . . . 0.0 112.881 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -83.85 -24.76 30.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.541 1.136 . . . . 0.0 113.349 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 56.93 27.82 13.69 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.177 1.791 . . . . 0.0 114.542 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -66.87 145.35 55.56 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.958 -1.089 . . . . 0.0 113.038 176.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.9 p -77.02 157.49 31.14 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.91 1.284 . . . . 0.0 109.381 174.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.3 mt -78.28 150.96 33.26 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.767 0.827 . . . . 0.0 112.665 173.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.41 HG21 HG21 ' A' ' 113' ' ' THR . 2.2 m -126.08 161.02 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.963 2.505 . . . . 0.0 111.108 168.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.19 90.92 10.48 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 123.41 0.684 . . . . 0.0 109.702 173.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.83 152.91 80.23 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.506 2.138 . . . . 0.0 112.488 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.61 157.47 57.36 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 124.146 0.978 . . . . 0.0 112.654 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -55.68 -35.58 93.37 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.26 2.64 . . . . 0.0 114.701 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.15 -33.47 75.86 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.088 0.955 . . . . 0.0 112.758 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.8 tp -79.79 -42.9 23.48 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 124.224 1.009 . . . . 0.0 111.281 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -55.66 -40.73 72.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.499 0.72 . . . . 0.0 111.767 174.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -54.95 -45.72 74.91 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.446 1.098 . . . . 0.0 112.523 170.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.37 -46.06 85.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.053 0.941 . . . . 0.0 111.372 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.17 -40.46 93.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.803 0.841 . . . . 0.0 110.934 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -71.74 -25.05 61.9 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.0 p -64.81 -26.73 68.47 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.267 0.94 . . . . 0.0 112.232 172.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -98.84 12.17 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.944 1.697 . . . . 0.0 113.367 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.3 28.16 28.51 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.208 1.385 . . . . 0.0 116.433 168.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.66 137.21 45.89 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.415 1.607 . . . . 0.0 111.28 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -89.49 -31.69 17.55 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -168.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -93.14 177.21 6.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.774 1.63 . . . . 0.0 113.649 -169.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -112.61 -0.07 15.26 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.241 1.816 . . . . 0.0 114.786 167.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 p -137.99 143.87 40.85 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.908 2.083 . . . . 0.0 106.962 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -148.26 155.74 41.7 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -170.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 p -77.34 158.11 30.31 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 118.788 0.722 . . . . 0.0 112.686 165.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.6 mmt -58.16 -38.61 76.96 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.85 -1.156 . . . . 0.0 112.863 173.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -66.76 -37.47 84.67 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.123 0.874 . . . . 0.0 112.805 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.77 -47.04 85.22 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.654 1.116 . . . . 0.0 112.648 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.14 -48.02 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 122.996 0.518 . . . . 0.0 110.498 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 mt -57.95 -49.14 77.81 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.752 0.705 . . . . 0.0 111.745 175.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -51.34 -56.01 15.41 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 115.486 1.661 . . . . 0.0 115.486 175.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -62.45 -41.92 99.09 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.94 -39.47 94.71 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.921 0.888 . . . . 0.0 111.591 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.49 -51.33 57.09 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 170.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -59.0 -33.94 71.28 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.969 0.885 . . . . 0.0 112.445 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.03 -49.02 64.03 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.919 0.781 . . . . 0.0 112.114 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.33 -38.61 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.439 1.095 . . . . 0.0 111.123 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 41.9 mtp -67.45 -51.85 46.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.321 1.448 . . . . 0.0 113.34 175.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -65.23 -32.84 74.71 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -82.6 -16.36 48.72 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.661 1.585 . . . . 0.0 114.663 172.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 52.92 48.4 22.52 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 127.197 2.199 . . . . 0.0 113.312 -174.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.4 mt -74.21 -11.82 60.39 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -62.75 148.11 47.74 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.77 129.7 41.19 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.332 -0.855 . . . . 0.0 112.744 168.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.12 -28.28 67.73 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -80.96 -68.85 0.65 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.884 0.874 . . . . 0.0 110.109 173.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -100.48 91.01 4.49 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.104 0.962 . . . . 0.0 110.239 -178.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.37 -8.96 44.73 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.203 -0.935 . . . . 0.0 112.844 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -81.22 10.2 5.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.897 1.679 . . . . 0.0 113.086 167.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.2 mt -126.54 137.88 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.739 2.015 . . . . 0.0 108.932 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.46 126.26 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 125.62 1.568 . . . . 0.0 110.636 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.29 55.8 m-85 -95.19 65.0 2.79 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.061 2.144 . . . . 0.0 115.199 177.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.73 -6.15 24.71 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.868 2.174 . . . . 0.0 116.868 -169.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.3 t -45.84 129.98 9.41 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.736 1.615 . . . . 0.0 114.037 -177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 59.53 -22.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.692 2.797 . . . . 0.0 117.691 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.251 16.2 m-20 -78.08 55.55 1.49 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.295 1.838 . . . . 0.0 115.536 172.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.3 tp 60.18 -50.88 0.09 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 129.514 3.126 . . . . 0.0 115.515 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.73 -29.75 70.74 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.169 1.788 . . . . 0.0 114.188 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.46 -32.91 82.82 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.414 -0.804 . . . . 0.0 113.41 172.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -74.08 -25.91 60.08 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.9 mt -73.47 -54.8 7.39 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.151 0.98 . . . . 0.0 111.603 170.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.266 39.0 m-85 -70.08 -21.36 63.15 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 116.946 2.202 . . . . 0.0 116.946 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.37 22.06 76.47 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.472 1.034 . . . . 0.0 114.262 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.8 m -146.36 155.62 49.89 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.183 1.793 . . . . 0.0 109.523 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.29 -23.93 20.28 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.178 2.586 . . . . 0.0 113.379 172.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.3 p -159.82 159.04 32.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.3 1.44 . . . . 0.0 112.099 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -150.9 162.82 40.06 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.957 0.903 . . . . 0.0 109.536 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -107.78 114.98 29.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.274 1.429 . . . . 0.0 113.46 -174.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.96 -22.52 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.277 1.431 . . . . 0.0 114.067 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -56.86 -28.53 61.86 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.067 1.747 . . . . 0.0 113.348 169.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -110.93 73.08 0.8 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.105 1.362 . . . . 0.0 111.944 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -50.3 -40.56 48.96 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.744 1.218 . . . . 0.0 113.241 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -35.46 47.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.256 1.823 . . . . 0.0 114.175 175.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -81.62 -35.53 29.97 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.23 1.412 . . . . 0.0 111.596 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.05 -45.16 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.236 0.615 . . . . 0.0 110.89 173.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -54.53 -45.87 73.48 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 t -64.89 -36.8 85.53 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.8 mtm -72.2 -39.09 68.86 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.605 -0.684 . . . . 0.0 112.359 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.9 mmm -63.46 -40.44 97.13 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.966 0.907 . . . . 0.0 111.754 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.47 -29.09 70.43 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.601 0.76 . . . . 0.0 112.777 174.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.7 m -74.97 -16.56 60.63 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 176.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.9 mtt -79.35 -1.79 38.56 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.41 HG21 HG21 ' A' ' 34' ' ' VAL 0.269 2.0 p -116.7 10.0 14.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.297 1.839 . . . . 0.0 115.634 -176.378 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -155.45 -162.07 11.05 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.314 1.435 . . . . 0.0 113.507 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.94 -165.71 54.79 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.343 0.973 . . . . 0.0 113.825 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -150.2 150.01 31.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.831 1.252 . . . . 0.0 112.247 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -75.55 153.74 37.23 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.185 1.394 . . . . 0.0 112.381 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 24.6 ptp -76.33 -10.69 59.59 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.196 0 C-N-CA 125.793 1.664 . . . . 0.0 113.438 -177.171 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 118.604 -0.712 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.14 168.21 19.77 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.493 2.795 . . . . 0.0 113.205 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -134.13 152.67 51.94 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.382 1.473 . . . . 0.0 112.621 175.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -50.01 -48.3 52.64 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -66.02 -27.3 68.01 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -62.02 -39.5 92.5 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.307 -0.871 . . . . 0.0 111.447 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -71.45 -42.72 67.84 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -67.77 -34.84 77.59 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.53 0.732 . . . . 0.0 111.834 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.58 -32.48 70.41 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.396 1.079 . . . . 0.0 112.434 174.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -73.12 -19.08 61.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.908 0.883 . . . . 0.0 112.899 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 73.5 mt -64.54 -55.63 19.28 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.512 0.596 . . . . 0.0 110.842 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.21 -23.55 64.84 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -172.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.33 -28.9 69.03 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.37 -15.36 15.87 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.95 1.262 . . . . 0.0 115.388 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.45 179.6 45.9 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.44 1.495 . . . . 0.0 115.258 -174.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.91 -0.17 87.4 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.733 1.158 . . . . 0.0 115.052 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -153.61 155.91 36.98 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.073 1.749 . . . . 0.0 110.674 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -63.86 160.92 16.46 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.648 1.179 . . . . 0.0 112.915 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.14 140.55 55.75 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.105 0.962 . . . . 0.0 111.898 176.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -65.41 -35.7 81.71 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 -169.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -151.26 146.84 26.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.962 1.705 . . . . 0.0 115.095 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -59.91 -28.04 67.25 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.24 -11.25 85.52 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.027 0.822 . . . . 0.0 115.107 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 95.1 mtp -82.29 70.55 9.25 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.888 1.344 . . . . 0.0 111.893 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.2 m -61.81 100.55 0.16 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.876 0.87 . . . . 0.0 109.326 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.5 t 66.83 127.28 0.03 OUTLIER Pre-proline 0 N--CA 1.48 1.045 0 C-N-CA 125.989 1.716 . . . . 0.0 110.843 -166.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -61.04 119.62 6.87 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.02 2.48 . . . . 0.0 113.154 -170.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 142.89 57.69 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 176.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -59.7 -21.5 60.68 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 174.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.8 -3.4 21.52 Favored Glycine 0 CA--C 1.539 1.552 0 C-N-CA 125.231 1.396 . . . . 0.0 115.236 171.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -22.47 64.29 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.206 1.503 . . . . 0.0 113.328 172.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -75.26 -22.48 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 172.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.315 0.2 OUTLIER -71.85 -3.41 22.14 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 117.418 2.377 . . . . 0.0 117.418 -174.071 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 p -62.64 -19.37 63.73 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 170.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.4 m 58.67 22.35 9.81 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.97 1.708 . . . . 0.0 115.141 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -65.53 150.55 48.2 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.133 0.973 . . . . 0.0 112.307 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.09 141.23 96.3 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 123.916 0.886 . . . . 0.0 110.377 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -64.72 -32.67 56.63 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.966 2.444 . . . . 0.0 114.73 -174.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.77 -90.08 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.298 2.239 . . . . 0.0 114.509 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -150.84 149.03 29.19 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.383 1.873 . . . . 0.0 110.666 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -66.04 -28.08 68.58 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.61 0.764 . . . . 0.0 112.685 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 45.54 55.69 6.43 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.793 2.037 . . . . 0.0 113.912 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -63.61 130.76 45.62 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.595 -1.315 . . . . 0.0 110.985 170.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -130.19 142.89 50.54 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -173.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.5 mt -70.77 149.21 47.11 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -169.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.96 169.27 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 130.013 3.325 . . . . 0.0 109.99 168.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -112.3 91.4 16.27 Favored Pre-proline 0 N--CA 1.472 0.637 0 O-C-N 121.893 -0.504 . . . . 0.0 111.403 172.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -62.96 148.85 93.02 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.646 2.231 . . . . 0.0 112.67 175.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.46 156.71 50.91 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 124.912 1.285 . . . . 0.0 113.007 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -56.09 -35.17 94.54 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.272 2.648 . . . . 0.0 114.636 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.51 -35.66 81.21 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.209 1.004 . . . . 0.0 112.524 175.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.0 tp -79.1 -40.72 30.38 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.753 1.221 . . . . 0.0 111.49 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.1 tp -55.63 -41.08 73.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.795 0.838 . . . . 0.0 111.847 172.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.86 -41.41 82.37 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.8 0.84 . . . . 0.0 112.658 172.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 tt -65.92 -47.7 73.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.028 0.931 . . . . 0.0 111.335 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.68 -41.91 96.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.108 0.963 . . . . 0.0 111.163 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -74.39 -24.16 59.08 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.6 p -64.56 -26.65 68.51 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.189 0.904 . . . . 0.0 112.374 170.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.9 m -98.01 13.38 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.833 1.653 . . . . 0.0 114.263 169.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 22.35 30.02 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 117.0 1.56 . . . . 0.0 117.0 168.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.61 166.04 13.58 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 119.626 1.713 . . . . 0.0 112.572 172.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -136.76 -27.62 1.01 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -169.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -83.95 176.9 8.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.478 1.511 . . . . 0.0 113.523 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -101.91 -38.15 7.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.154 1.382 . . . . 0.0 114.084 167.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -99.99 148.71 24.21 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.212 1.805 . . . . 0.0 107.977 172.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -145.26 151.41 38.32 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.612 1.565 . . . . 0.0 113.078 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -73.41 153.29 40.48 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.351 0.978 . . . . 0.0 112.782 167.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 mtp -60.5 -30.91 70.01 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.644 -1.285 . . . . 0.0 112.24 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -68.39 -41.5 80.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.089 1.356 . . . . 0.0 112.413 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.42 -42.89 98.74 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.158 0.89 . . . . 0.0 112.64 172.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.39 -49.73 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.607 0.763 . . . . 0.0 109.467 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.65 -47.68 83.62 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.098 0.863 . . . . 0.0 111.356 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -51.77 -50.98 59.62 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 176.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -72.57 -35.26 67.92 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.27 -40.64 96.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.037 0.935 . . . . 0.0 111.595 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.47 -39.52 97.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 121.77 -0.581 . . . . 0.0 112.97 171.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -63.23 -34.74 78.32 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.3 1.05 . . . . 0.0 113.216 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -66.42 -47.43 73.26 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.633 0.652 . . . . 0.0 111.799 173.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.51 -38.47 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.328 1.051 . . . . 0.0 111.604 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.1 mtm -65.61 -54.36 28.92 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 173.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 t -63.55 -33.47 75.66 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -79.77 -13.82 59.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.636 1.575 . . . . 0.0 114.126 171.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 53.5 46.28 26.48 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.857 2.463 . . . . 0.0 113.224 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.8 mt -78.9 -10.13 59.71 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -173.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -65.48 147.88 52.67 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -67.61 129.86 41.23 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.311 -0.868 . . . . 0.0 113.225 170.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.01 -26.71 68.39 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.222 -0.924 . . . . 0.0 113.298 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -83.47 -67.37 0.8 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.439 1.096 . . . . 0.0 110.955 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -91.92 88.8 6.75 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.333 1.053 . . . . 0.0 110.835 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.61 -17.51 62.95 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -86.63 6.36 31.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.946 1.698 . . . . 0.0 114.207 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -121.97 138.8 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.405 1.482 . . . . 0.0 110.404 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.6 t -114.3 135.7 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.034 1.734 . . . . 0.0 110.7 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -107.58 130.07 54.92 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.283 1.833 . . . . 0.0 114.463 173.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.8 p -146.64 16.49 1.27 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -168.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.9 t -54.71 125.93 21.95 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.15 -0.969 . . . . 0.0 112.295 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 58.32 9.76 1.12 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 127.13 2.172 . . . . 0.0 116.381 -175.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -87.28 166.04 15.2 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.512 1.125 . . . . 0.0 112.501 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.82 -38.69 61.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.1 0.96 . . . . 0.0 112.054 169.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.2 tp -67.49 -35.47 79.21 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.93 -35.0 65.22 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.678 0.656 . . . . 0.0 112.616 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.2 -29.76 70.6 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 170.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.3 mt -74.91 -64.09 1.12 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.904 1.282 . . . . 0.0 112.01 169.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.279 37.5 m-85 -67.29 -21.07 65.7 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 -177.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.85 18.6 78.68 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.66 1.124 . . . . 0.0 114.831 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.3 m -143.16 153.61 60.16 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 125.396 1.478 . . . . 0.0 110.553 -174.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.78 -20.21 20.2 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.753 2.969 . . . . 0.0 113.866 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -164.04 160.62 21.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.792 1.637 . . . . 0.0 111.186 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -154.83 157.05 37.3 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.536 0.684 . . . . 0.0 110.464 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.3 t -92.06 127.72 37.64 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.47 1.108 . . . . 0.0 112.165 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.2 t -66.51 -31.04 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.496 1.518 . . . . 0.0 113.208 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -64.51 -30.62 71.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.358 1.463 . . . . 0.0 112.498 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -79.6 58.05 2.62 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.467 1.507 . . . . 0.0 112.514 177.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -51.89 -40.63 60.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.902 1.281 . . . . 0.0 114.39 -169.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -57.77 -42.18 83.53 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.724 1.21 . . . . 0.0 112.788 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -67.66 -41.23 84.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.959 0.903 . . . . 0.0 111.868 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.0 mt -61.46 -47.79 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.0 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.59 -44.68 85.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.782 1.174 . . . . 0.0 113.837 -176.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.254 1.5 t -66.35 -40.75 90.01 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 74.1 mtm -65.41 -42.6 92.39 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.574 -0.704 . . . . 0.0 112.111 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -76.73 -32.63 57.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 0.0 111.607 -175.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.33 80.18 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.446 -0.784 . . . . 0.0 111.813 172.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 m -64.16 -16.45 61.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.255 1.022 . . . . 0.0 113.739 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.0 mtt -78.22 -3.01 40.54 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.422 1.089 . . . . 0.0 113.459 171.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.269 1.6 p -126.1 9.07 7.37 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -170.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -154.06 -166.11 14.53 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.622 1.582 . . . . 0.0 112.95 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.1 151.5 52.45 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.915 0.769 . . . . 0.0 114.109 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -153.63 165.74 34.99 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.61 1.564 . . . . 0.0 111.8 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -64.52 145.94 55.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.006 0.922 . . . . 0.0 110.939 169.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 37.0 ttm -149.42 32.95 0.72 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.207 1.003 . . . . 0.0 112.206 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.394 1.474 . . . . 0.0 112.784 -179.074 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.14 142.45 98.34 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.53 2.82 . . . . 0.0 113.948 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -113.34 -20.29 11.41 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.356 1.863 . . . . 0.0 114.326 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -54.13 -50.26 67.33 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -68.44 -30.53 69.43 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -170.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -63.42 -40.58 97.57 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.272 -0.893 . . . . 0.0 111.603 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -64.6 -42.26 95.68 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 168.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -70.86 -36.33 72.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.197 0.599 . . . . 0.0 112.194 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 14.9 tp -64.4 -32.49 74.13 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.931 -1.106 . . . . 0.0 112.477 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -64.1 -30.72 71.77 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.129 1.372 . . . . 0.0 111.696 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.26 -54.21 32.65 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.981 0.913 . . . . 0.0 111.817 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.463 ' SD ' ' HE2' ' A' ' 57' ' ' LYS . 13.0 ptp -67.99 -29.48 68.52 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -173.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -77.94 -13.44 59.88 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 173.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.91 -130.18 4.11 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.917 1.722 . . . . 0.0 113.818 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.38 7.65 88.33 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.951 1.262 . . . . 0.0 116.051 175.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.76 159.8 53.88 Favored Glycine 0 CA--C 1.537 1.429 0 CA-C-N 118.61 1.205 . . . . 0.0 114.203 178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -68.66 -13.69 62.53 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -169.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -57.09 -30.38 64.27 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.922 1.237 . . . . 0.0 114.234 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.88 -22.86 65.08 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 175.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -106.75 -24.4 12.11 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -135.19 127.53 30.3 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.223 1.809 . . . . 0.0 115.162 -176.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 60.36 -21.82 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 118.096 2.628 . . . . 0.0 118.096 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.07 -113.52 5.24 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 120.353 1.433 . . . . 0.0 112.902 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.7 ttp 64.76 -49.89 0.33 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 129.012 2.925 . . . . 0.0 115.913 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.9 m -148.86 160.55 43.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.203 1.401 . . . . 0.0 112.549 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.13 133.66 95.52 Favored Pre-proline 0 N--CA 1.475 0.781 0 C-N-CA 124.583 1.153 . . . . 0.0 111.396 170.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.35 -29.71 54.14 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.515 2.144 . . . . 0.0 113.283 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.3 0.2 OUTLIER -72.18 56.0 0.33 Allowed 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 179.031 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -141.92 153.77 44.62 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.703 1.601 . . . . 0.0 112.457 -173.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.78 6.56 78.3 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 125.058 1.313 . . . . 0.0 115.503 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.98 154.0 42.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.696 1.199 . . . . 0.0 113.202 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.74 141.5 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.555 1.142 . . . . 0.0 112.812 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.297 1.0 OUTLIER -63.61 156.67 25.98 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 172.283 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER -59.62 139.48 57.16 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -171.12 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.2 m 58.93 7.9 0.88 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -76.85 -56.26 4.75 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.477 1.035 . . . . 0.0 110.959 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 mp -77.97 158.85 77.11 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.156 1.782 . . . . 0.0 111.834 169.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.51 145.54 88.15 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.844 3.029 . . . . 0.0 113.67 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.61 -19.08 61.53 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 p -71.95 143.54 49.24 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.794 1.237 . . . . 0.0 113.526 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -157.74 159.61 37.02 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.999 1.719 . . . . 0.0 111.074 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.05 144.05 25.53 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.517 1.127 . . . . 0.0 111.369 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -146.0 168.55 20.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.935 1.694 . . . . 0.0 112.123 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.45 135.11 57.18 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.8 mt -74.95 138.56 42.4 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.922 0.889 . . . . 0.0 111.269 174.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.9 m -103.6 -24.79 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -172.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 47.03 81.16 0.26 Allowed Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 127.597 2.359 . . . . 0.0 111.535 -169.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -67.62 159.71 51.36 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.158 1.905 . . . . 0.0 112.807 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -56.79 146.1 59.39 Favored Pre-proline 0 N--CA 1.473 0.713 0 C-N-CA 125.973 1.709 . . . . 0.0 111.928 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.1 -31.21 83.3 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.144 2.563 . . . . 0.0 113.429 -171.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.69 -35.98 81.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.135 0.974 . . . . 0.0 111.901 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 tp -72.14 -45.9 58.67 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.381 0.672 . . . . 0.0 111.815 169.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 tp -53.77 -39.96 65.82 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.016 0.526 . . . . 0.0 111.614 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -62.0 -34.29 75.92 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 174.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.19 -39.23 92.01 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.64 -0.663 . . . . 0.0 110.905 170.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.95 -41.68 90.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.124 0.57 . . . . 0.0 111.153 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -59.71 -32.25 70.35 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.439 -1.413 . . . . 0.0 112.982 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -65.16 -14.72 61.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.592 1.157 . . . . 0.0 113.573 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.32 22.39 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.316 1.847 . . . . 0.0 112.547 170.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.35 23.01 59.5 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 116.583 1.393 . . . . 0.0 116.583 169.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 120.1 9.97 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 118.97 1.385 . . . . 0.0 112.426 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -77.3 -51.95 10.02 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -169.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -71.73 173.42 8.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.432 1.893 . . . . 0.0 112.728 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -112.54 2.52 16.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.479 1.912 . . . . 0.0 115.308 168.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -136.57 137.4 40.16 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.448 1.899 . . . . 0.0 106.862 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -143.3 156.96 44.85 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.38 1.472 . . . . 0.0 114.564 -173.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -79.88 162.45 25.01 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 166.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.1 mmt -55.75 -37.14 68.11 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.738 -1.226 . . . . 0.0 112.926 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.463 ' HE2' ' SD ' ' A' ' 0' ' ' MET . 13.1 tptm -63.26 -44.79 94.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.565 1.146 . . . . 0.0 110.888 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -68.38 -42.96 78.33 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.514 1.126 . . . . 0.0 113.295 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.88 -49.29 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.557 0.617 . . . . 0.0 110.486 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.47 -41.53 85.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.809 0.731 . . . . 0.0 111.816 173.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.253 26.5 t80 -52.93 -58.69 6.11 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 171.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -60.18 -38.85 84.47 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.19 -44.34 88.73 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.205 1.002 . . . . 0.0 111.694 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.75 -41.71 98.83 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.557 -0.714 . . . . 0.0 112.741 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -60.86 -36.74 79.96 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.985 0.893 . . . . 0.0 112.759 171.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -64.88 -49.47 70.36 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.13 -40.05 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.356 1.062 . . . . 0.0 111.387 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.2 mtm -63.55 -55.63 22.37 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -64.39 -31.2 72.3 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -81.15 -14.88 57.21 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.586 1.554 . . . . 0.0 114.224 173.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? 52.37 46.72 26.14 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.788 2.035 . . . . 0.0 113.577 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -76.5 -12.49 60.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -67.25 151.2 47.93 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 117.24 2.311 . . . . 0.0 117.24 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -64.13 128.21 34.83 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.464 -0.773 . . . . 0.0 112.549 168.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -58.22 -30.26 66.35 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.293 -0.879 . . . . 0.0 113.247 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -80.15 -68.64 0.66 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.243 1.017 . . . . 0.0 110.983 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -96.42 85.29 3.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.051 0.94 . . . . 0.0 110.606 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.03 -14.35 62.81 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -74.07 0.04 15.01 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.382 1.073 . . . . 0.0 113.229 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.5 mt -114.61 125.11 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.382 1.473 . . . . 0.0 109.7 173.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.4 t -97.7 129.98 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.362 1.465 . . . . 0.0 111.665 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.298 55.3 m-85 -100.06 79.43 2.18 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.397 1.879 . . . . 0.0 115.397 177.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.6 m -69.93 -13.85 62.44 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.355 1.862 . . . . 0.0 113.827 -172.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.4 t -51.89 137.74 25.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.269 1.427 . . . . 0.0 113.631 -173.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 58.88 18.15 5.9 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.541 1.936 . . . . 0.0 115.779 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -120.33 167.05 12.71 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.199 1.4 . . . . 0.0 112.317 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.3 tp -51.04 -34.03 27.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.029 1.332 . . . . 0.0 112.09 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.96 -36.54 84.28 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 174.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.42 -36.14 69.24 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.918 0.771 . . . . 0.0 112.361 174.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.78 -29.61 70.8 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 170.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.0 mt -75.22 -65.17 0.92 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.035 1.334 . . . . 0.0 112.172 170.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.286 30.0 m-85 -70.99 -19.34 62.54 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 -173.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.99 18.27 77.62 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.083 0.849 . . . . 0.0 114.553 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.0 m -139.11 153.81 71.76 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 125.912 1.685 . . . . 0.0 110.004 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.21 -25.53 26.39 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.235 2.623 . . . . 0.0 113.022 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.2 p -163.42 162.84 25.04 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.143 1.377 . . . . 0.0 112.801 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -152.3 158.67 43.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.477 1.111 . . . . 0.0 109.034 169.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 t -99.08 127.86 45.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.893 0.877 . . . . 0.0 112.105 174.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.02 -16.83 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 127.003 2.121 . . . . 0.0 113.514 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -56.47 -36.0 68.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.08 1.352 . . . . 0.0 112.64 170.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -89.77 101.63 14.32 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 122.583 1.183 . . . . 0.0 113.885 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -63.79 -62.5 1.61 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.324 1.45 . . . . 0.0 112.865 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -58.58 -41.68 86.29 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.523 1.129 . . . . 0.0 112.356 -174.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.77 -43.77 97.6 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.59 1.156 . . . . 0.0 111.939 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.8 mt -69.88 -46.99 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.529 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -56.09 -46.07 79.17 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 t -64.84 -37.27 87.05 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 175.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.44 -37.74 77.51 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.383 -0.823 . . . . 0.0 112.737 172.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.8 mmm -65.77 -40.4 92.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.868 0.758 . . . . 0.0 111.72 174.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.09 -35.01 77.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.548 -0.72 . . . . 0.0 112.294 173.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 m -68.25 -6.34 23.22 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 60.4 mtt -100.31 3.25 43.27 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.261 1.424 . . . . 0.0 113.647 173.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.344 1.3 p -123.57 15.81 9.57 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.915 1.686 . . . . 0.0 115.07 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -179.53 -174.06 45.21 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 126.419 1.961 . . . . 0.0 112.215 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 75.09 178.16 41.3 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.506 1.051 . . . . 0.0 115.234 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -75.35 161.7 29.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.826 1.25 . . . . 0.0 113.174 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -153.6 162.48 41.21 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.773 1.629 . . . . 0.0 111.088 173.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 77.9 mtm -67.93 152.61 45.28 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.883 0.873 . . . . 0.0 112.836 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 C-N-CA 125.343 1.449 . . . . 0.0 112.983 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 118.646 -0.692 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -66.56 140.93 58.82 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 122.927 2.418 . . . . 0.0 111.872 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -6.02 49.11 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.798 1.239 . . . . 0.0 114.193 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -47.32 -51.45 19.25 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -68.81 -31.97 71.35 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -65.46 -19.87 66.12 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.434 -0.791 . . . . 0.0 112.555 173.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -90.0 -39.13 13.15 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 167.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -70.63 -33.84 71.44 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.396 1.078 . . . . 0.0 112.072 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 18.0 tp -58.46 -30.89 67.31 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.92 -1.112 . . . . 0.0 112.385 174.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.34 -28.86 69.59 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.628 1.571 . . . . 0.0 112.324 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.29 -53.6 41.58 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.302 0.641 . . . . 0.0 111.052 173.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.0 ptp -70.15 -23.55 63.02 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -66.52 -18.42 65.36 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.891 1.676 . . . . 0.0 113.063 169.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.92 6.96 56.83 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.54 1.543 . . . . 0.0 115.337 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.04 27.07 71.81 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 118.576 1.188 . . . . 0.0 114.712 172.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.11 -126.1 25.54 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 118.368 1.084 . . . . 0.0 112.056 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 pm0 -68.86 -7.5 35.13 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.208 1.403 . . . . 0.0 114.706 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -70.84 -11.79 61.17 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -140.11 149.86 43.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.294 1.438 . . . . 0.0 111.896 171.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.31 150.86 48.43 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 167.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.302 39.2 t80 -63.03 -65.67 0.65 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 55.38 -11.2 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 128.427 2.691 . . . . 0.0 118.122 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.01 -30.37 0.77 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.941 2.21 . . . . 0.0 115.923 177.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -140.65 167.22 22.67 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.202 1.801 . . . . 0.0 111.612 -175.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.9 t 65.71 -67.29 0.14 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.868 2.467 . . . . 0.0 114.882 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.2 t -61.96 147.26 90.32 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 128.844 2.858 . . . . 0.0 111.241 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -46.18 146.73 4.31 Favored 'Trans proline' 0 CA--C 1.546 1.114 0 C-N-CA 124.607 3.538 . . . . 0.0 114.763 170.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 p -137.57 155.64 48.99 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.058 1.743 . . . . 0.0 114.902 -169.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.5 118.3 9.24 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 176.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.32 -164.73 54.89 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 116.329 1.291 . . . . 0.0 116.329 171.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.9 169.36 23.63 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.515 2.326 . . . . 0.0 109.946 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.271 0.4 OUTLIER -65.19 141.1 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 179.496 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.26 1.2 p -101.74 160.63 14.3 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.564 1.691 . . . . 0.0 115.564 -177.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.403 0.2 OUTLIER 58.41 30.59 19.85 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 174.352 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.6 t -151.45 157.83 42.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.411 1.484 . . . . 0.0 111.695 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -73.02 -23.49 60.62 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.641 1.176 . . . . 0.0 113.733 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 pt -87.09 148.96 46.4 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 124.752 1.221 . . . . 0.0 112.159 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -78.74 -28.42 4.18 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.397 2.731 . . . . 0.0 113.254 172.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.97 154.6 22.12 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.957 2.103 . . . . 0.0 110.349 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.5 p -76.9 -27.76 55.08 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -147.14 155.73 42.39 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.255 1.822 . . . . 0.0 111.689 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.8 134.6 44.99 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.127 0.571 . . . . 0.0 111.521 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.5 mp0 -72.28 -170.21 0.6 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.549 1.14 . . . . 0.0 110.552 166.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.27 129.11 20.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 177.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.0 mt -84.5 144.21 28.85 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.65 1.18 . . . . 0.0 112.282 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 m -97.89 -19.7 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -172.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 49.43 69.74 2.5 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 127.187 2.195 . . . . 0.0 113.159 -172.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.53 163.88 37.56 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.22 2.613 . . . . 0.0 113.86 -171.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 30.9 mtmt -58.32 149.62 58.1 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 124.632 1.173 . . . . 0.0 112.433 175.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -61.65 -31.43 86.56 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.773 2.315 . . . . 0.0 112.545 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.4 -35.68 79.98 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.358 1.063 . . . . 0.0 112.329 172.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.562 HD22 ' HB3' ' A' ' 112' ' ' MET . 55.9 tp -76.05 -45.64 33.24 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.225 0.61 . . . . 0.0 111.474 174.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 tp -53.27 -39.9 64.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.057 0.943 . . . . 0.0 111.846 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -55.8 -42.13 75.17 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.611 1.165 . . . . 0.0 113.026 171.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.47 -41.95 88.23 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.145 0.978 . . . . 0.0 111.929 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.4 -42.36 98.78 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.412 0.625 . . . . 0.0 110.947 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -71.01 -22.44 62.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.582 1.153 . . . . 0.0 114.094 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.7 m -64.37 -21.32 66.59 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.784 0.833 . . . . 0.0 112.635 169.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.8 m -109.65 16.17 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.778 1.631 . . . . 0.0 113.112 168.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.37 30.82 39.68 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.986 1.279 . . . . 0.0 115.773 168.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.52 132.08 45.71 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 118.909 1.354 . . . . 0.0 111.118 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -81.51 -39.28 24.97 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -167.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -77.47 165.13 24.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.627 1.571 . . . . 0.0 114.928 -173.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -92.12 -15.64 27.43 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.124 1.769 . . . . 0.0 114.276 166.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.5 p -143.88 143.98 31.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.564 1.545 . . . . 0.0 109.352 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -140.61 163.85 31.75 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.034 1.734 . . . . 0.0 112.991 -169.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -86.41 165.96 15.92 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.318 1.447 . . . . 0.0 114.343 167.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.4 mtp -58.89 -41.06 86.24 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.879 -1.138 . . . . 0.0 112.523 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -63.56 -40.14 96.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.687 0.795 . . . . 0.0 112.49 174.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -68.27 -41.98 80.27 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.34 -47.32 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.04 -47.45 85.18 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.699 0.681 . . . . 0.0 111.105 175.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -51.76 -58.45 6.37 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -60.88 -37.31 81.73 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 tp -65.14 -43.63 91.23 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.199 1.0 . . . . 0.0 111.976 173.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.4 99.14 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.283 -0.886 . . . . 0.0 112.826 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.81 -36.57 79.4 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.85 -0.794 . . . . 0.0 112.352 171.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -64.53 -48.99 73.05 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.9 -38.44 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.497 1.119 . . . . 0.0 111.589 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 73.4 mtm -65.4 -54.53 27.4 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 173.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -63.85 -32.99 74.7 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -79.96 -17.25 53.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.939 1.696 . . . . 0.0 114.133 172.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 52.09 48.02 23.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.912 2.485 . . . . 0.0 113.143 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.7 mt -74.74 -11.02 60.06 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -176.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.282 13.4 p90 -68.14 151.44 47.0 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 173.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.12 132.05 52.49 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 172.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -60.67 -26.36 67.04 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.226 -0.921 . . . . 0.0 113.352 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -83.96 -69.0 0.67 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.619 1.168 . . . . 0.0 110.932 170.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -92.23 82.6 5.0 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.503 1.121 . . . . 0.0 111.002 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -69.63 -5.81 27.17 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -89.22 3.65 51.28 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.304 1.441 . . . . 0.0 113.582 169.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.53 125.17 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.686 1.594 . . . . 0.0 110.115 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 t -91.25 135.35 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.778 1.631 . . . . 0.0 112.56 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.28 64.1 m-85 -112.66 64.75 0.63 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.036 2.134 . . . . 0.0 114.867 176.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.3 p -68.71 -3.58 12.68 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 -172.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -50.34 145.54 6.15 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.329 1.852 . . . . 0.0 114.877 -176.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 57.3 27.85 14.33 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.49 1.916 . . . . 0.0 115.358 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -145.51 174.87 10.78 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.723 1.209 . . . . 0.0 108.629 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.8 tp -53.14 -39.38 63.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.762 1.625 . . . . 0.0 113.109 -175.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.9 -35.83 72.47 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.42 -37.69 94.8 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.654 -0.654 . . . . 0.0 112.178 171.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.06 -32.67 74.49 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 170.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.01 -56.68 5.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.872 1.269 . . . . 0.0 112.318 172.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -68.67 -27.58 66.11 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.4 16.4 80.64 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.095 0.855 . . . . 0.0 114.618 -176.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 m -139.95 152.77 68.58 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 125.729 1.611 . . . . 0.0 109.771 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -73.8 -25.35 14.59 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.398 2.732 . . . . 0.0 113.665 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.5 p -163.44 161.44 24.28 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.497 1.119 . . . . 0.0 113.141 -176.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -159.94 153.73 22.86 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.866 1.266 . . . . 0.0 110.037 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.6 t -86.39 130.37 34.53 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.22 -0.925 . . . . 0.0 111.299 170.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.44 -24.35 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.912 0.885 . . . . 0.0 112.467 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.12 -22.17 66.68 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.498 1.519 . . . . 0.0 114.031 174.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -79.14 49.09 0.92 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.945 1.698 . . . . 0.0 112.032 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -50.6 -47.71 58.03 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.682 1.193 . . . . 0.0 113.467 -169.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.16 -40.62 81.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.884 1.274 . . . . 0.0 112.463 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.98 -42.9 65.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.815 1.246 . . . . 0.0 111.53 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.8 mt -58.88 -44.37 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.125 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -62.21 -46.67 87.85 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.53 1.059 . . . . 0.0 112.291 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.3 0.7 OUTLIER -64.88 -34.18 77.78 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 178.304 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 64.7 mtm -69.24 -46.65 66.81 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.78 -0.575 . . . . 0.0 111.966 169.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -72.4 -21.57 61.25 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.326 -0.859 . . . . 0.0 112.511 -175.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.4 -26.34 67.79 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.297 -0.877 . . . . 0.0 112.696 169.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.5 p -73.39 -5.03 37.17 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.932 -1.105 . . . . 0.0 113.612 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.562 ' HB3' HD22 ' A' ' 40' ' ' LEU . 35.7 mtt -92.5 -5.14 52.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.294 1.438 . . . . 0.0 112.568 169.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.255 1.5 p -133.17 14.78 4.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.503 2.321 . . . . 0.0 114.843 -178.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -177.48 -154.68 12.5 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.497 1.522 . . . . 0.0 112.907 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.38 151.45 48.47 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.531 1.062 . . . . 0.0 114.324 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -66.3 146.4 54.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.314 1.046 . . . . 0.0 113.343 -176.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -74.49 -26.69 60.18 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.257 1.023 . . . . 0.0 112.793 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.1 ttm -66.99 141.84 57.45 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.908 1.283 . . . . 0.0 112.515 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 C-N-CA 125.525 1.536 . . . . 0.0 113.248 179.176 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 62.2 tpp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.15 135.65 63.7 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.144 2.563 . . . . 0.0 113.367 178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -71.86 -19.44 61.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.732 1.213 . . . . 0.0 113.229 176.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -51.41 -55.64 17.54 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.96 -27.22 64.56 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.22 -45.55 92.83 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.534 -0.729 . . . . 0.0 111.03 170.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -64.07 -38.15 90.03 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 168.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -68.01 -37.18 81.12 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.016 0.526 . . . . 0.0 111.195 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.54 -45.55 92.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.237 1.015 . . . . 0.0 111.227 169.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -57.75 -36.79 72.58 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.014 1.326 . . . . 0.0 111.789 175.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -59.8 4.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.199 1.4 . . . . 0.0 112.142 175.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -82.22 -14.62 55.26 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.02 -33.0 74.49 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.197 -0.939 . . . . 0.0 111.191 167.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.96 -1.86 90.07 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.732 1.158 . . . . 0.0 115.091 169.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.73 141.1 24.12 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 118.722 1.261 . . . . 0.0 114.527 -173.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.47 33.26 0.04 OUTLIER Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.128 0.871 . . . . 0.0 114.408 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 58.51 13.07 2.34 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.191 1.796 . . . . 0.0 114.924 -172.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -68.46 -10.68 56.99 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.47 14.98 1.08 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 169.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.546 61.2 t80 64.94 25.05 12.73 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 -177.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.447 19.2 p90 54.48 21.92 3.58 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 119.517 3.155 . . . . 0.0 119.517 169.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.19 164.3 28.38 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.61 1.564 . . . . 0.0 112.615 -170.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.7 33.68 0.72 Allowed Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.209 1.862 . . . . 0.0 116.058 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.8 ptp -106.81 137.32 45.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.305 1.442 . . . . 0.0 111.561 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -73.78 123.05 23.41 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.713 -0.617 . . . . 0.0 109.514 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 t 65.93 138.99 0.05 OUTLIER Pre-proline 0 N--CA 1.484 1.229 0 C-N-CA 125.629 1.572 . . . . 0.0 113.342 -169.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -72.91 57.57 3.21 Favored 'Trans proline' 0 CA--C 1.549 1.232 0 C-N-CA 124.349 3.366 . . . . 0.0 112.452 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.42 0.6 OUTLIER 60.01 -48.85 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 119.196 3.036 . . . . 0.0 119.196 -175.415 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -89.53 -62.13 1.54 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.67 1.588 . . . . 0.0 114.815 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.09 156.45 15.92 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.968 1.27 . . . . 0.0 112.787 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.64 146.27 53.17 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.464 0.706 . . . . 0.0 112.308 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 m -76.04 -15.02 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.299 3.0 p -80.89 28.82 0.34 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 116.59 2.071 . . . . 0.0 116.59 -172.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -26.76 51.59 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 117.648 2.462 . . . . 0.0 117.648 -175.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.9 t -157.34 -48.58 0.07 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.508 1.523 . . . . 0.0 110.817 171.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -69.66 160.32 31.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.557 1.143 . . . . 0.0 111.902 169.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.28 156.34 69.9 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.283 1.433 . . . . 0.0 110.986 169.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.44 137.55 77.83 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.244 2.629 . . . . 0.0 113.145 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.82 76.71 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.8 p -162.79 160.21 24.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.057 1.743 . . . . 0.0 111.421 176.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.2 pm0 -64.45 151.19 44.93 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.139 0.975 . . . . 0.0 112.696 171.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -83.85 147.95 27.26 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.941 0.896 . . . . 0.0 111.006 170.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.5 mp0 -71.97 -9.97 59.12 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -173.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.37 130.33 44.26 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -176.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.64 149.72 24.71 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.516 1.126 . . . . 0.0 112.65 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.3 m -122.05 161.03 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 127.739 2.416 . . . . 0.0 112.409 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -108.42 88.78 5.3 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 124.454 1.102 . . . . 0.0 111.423 173.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -65.92 156.58 63.6 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.438 2.092 . . . . 0.0 112.589 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -55.4 148.34 33.38 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.076 0.95 . . . . 0.0 112.315 174.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -60.95 -31.06 91.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.844 2.363 . . . . 0.0 113.196 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.4 tp -66.28 -37.96 86.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.91 0.884 . . . . 0.0 112.53 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.5 tp -71.61 -44.79 63.78 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.949 0.9 . . . . 0.0 110.991 172.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.8 tp -56.67 -40.0 74.75 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.793 -0.567 . . . . 0.0 112.012 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.67 -37.02 77.65 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.456 -0.777 . . . . 0.0 112.826 172.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.57 -36.28 82.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.076 0.95 . . . . 0.0 112.175 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.8 -42.65 90.46 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.174 -0.954 . . . . 0.0 111.309 170.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -65.17 -23.07 67.0 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.076 1.509 . . . . 0.0 115.076 172.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 m -65.28 -16.83 63.98 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.958 0.799 . . . . 0.0 113.041 170.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.28 16.86 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.183 1.793 . . . . 0.0 112.843 168.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.53 22.22 58.8 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.416 1.326 . . . . 0.0 116.416 168.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.61 119.49 12.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.136 1.468 . . . . 0.0 111.498 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -71.51 -47.42 55.47 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -168.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -71.84 175.77 5.51 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.833 1.653 . . . . 0.0 113.27 -173.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -117.7 5.48 12.32 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.547 1.939 . . . . 0.0 114.898 168.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.27 138.81 35.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.132 2.173 . . . . 0.0 106.533 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -149.78 154.7 38.88 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -169.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -76.02 159.29 30.97 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.172 0.896 . . . . 0.0 112.966 165.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.8 mmt -57.85 -37.69 74.35 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 120.521 -1.362 . . . . 0.0 113.277 174.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -65.77 -39.99 91.57 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.421 1.088 . . . . 0.0 111.59 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.93 -46.04 83.28 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.414 1.007 . . . . 0.0 113.133 174.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.29 -50.31 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 118.589 0.632 . . . . 0.0 110.391 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.3 mt -59.72 -44.07 93.91 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.551 -0.737 . . . . 0.0 111.926 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -51.1 -56.04 14.65 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 173.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -60.69 -40.4 92.04 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 tp -63.44 -44.01 95.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.306 1.042 . . . . 0.0 111.94 173.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.9 97.82 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 121.368 -0.833 . . . . 0.0 112.504 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.97 -31.57 72.71 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.05 0.925 . . . . 0.0 112.583 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -66.98 -51.19 58.17 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 171.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.37 -40.51 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.918 1.287 . . . . 0.0 111.199 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.2 ttm -62.12 -56.67 16.49 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.251 1.42 . . . . 0.0 112.086 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -65.8 -33.69 76.43 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -77.83 -14.52 59.55 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.025 1.73 . . . . 0.0 113.846 172.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 52.88 45.27 29.1 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.591 2.356 . . . . 0.0 113.464 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.54 -10.07 59.19 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -62.63 148.88 44.97 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -67.82 129.84 41.14 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.17 -0.956 . . . . 0.0 112.106 167.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -59.49 -29.83 68.12 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.133 -0.979 . . . . 0.0 113.132 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -81.42 -62.34 1.68 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.057 0.943 . . . . 0.0 110.741 173.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -99.75 81.48 2.47 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.216 1.406 . . . . 0.0 110.487 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -66.94 -14.52 62.9 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.939 -1.101 . . . . 0.0 113.705 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -75.94 0.59 17.85 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.544 1.138 . . . . 0.0 113.185 169.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.8 mt -119.13 132.62 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.541 1.936 . . . . 0.0 110.103 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.6 t -110.54 127.57 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 126.114 1.766 . . . . 0.0 110.873 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.278 58.2 m-85 -98.09 71.42 2.13 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.673 1.989 . . . . 0.0 115.599 178.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.2 p -67.76 -4.02 11.15 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t -46.22 131.0 10.49 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.937 1.695 . . . . 0.0 113.751 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 59.92 0.12 0.25 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.22 168.56 13.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.632 1.173 . . . . 0.0 111.824 171.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.4 tp -51.04 -42.32 60.4 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.382 1.073 . . . . 0.0 111.236 168.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.42 -33.96 75.82 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.14 -29.49 73.0 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 123.701 0.667 . . . . 0.0 113.479 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.78 -28.31 62.52 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 171.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.15 -57.66 3.74 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.931 0.892 . . . . 0.0 111.875 170.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.302 23.9 m-85 -68.49 -25.53 65.02 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 117.458 2.392 . . . . 0.0 117.458 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.15 18.76 78.16 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.091 0.853 . . . . 0.0 114.82 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.44 155.66 69.85 Favored Pre-proline 0 N--CA 1.479 0.98 0 C-N-CA 125.902 1.681 . . . . 0.0 109.936 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.85 -26.04 22.9 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.119 2.546 . . . . 0.0 113.305 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.7 p -160.87 161.94 31.98 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.568 1.147 . . . . 0.0 112.804 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -150.76 157.25 42.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.822 1.249 . . . . 0.0 107.846 172.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.5 p -99.56 135.8 40.44 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.255 -0.903 . . . . 0.0 112.105 172.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.94 -30.28 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.348 1.059 . . . . 0.0 113.168 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -61.43 -32.15 72.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.147 1.379 . . . . 0.0 112.649 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -81.38 71.23 8.38 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 124.037 1.875 . . . . 0.0 112.585 170.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -56.61 -48.19 78.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.58 -2.1 . . . . 0.0 111.284 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -57.27 -38.32 73.71 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.799 1.64 . . . . 0.0 113.413 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -68.72 -40.65 79.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.375 1.07 . . . . 0.0 110.888 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.59 -52.04 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 119.239 -0.41 . . . . 0.0 110.414 171.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -53.45 -44.52 68.96 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.254 1.2 t -63.91 -36.41 83.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 173.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 76.9 mtm -71.32 -40.0 71.04 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.492 -0.755 . . . . 0.0 112.7 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.2 mmm -65.31 -33.86 76.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.312 1.045 . . . . 0.0 112.122 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.25 85.26 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.312 0.645 . . . . 0.0 111.998 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.5 m -66.93 -19.16 65.68 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 40.7 mtt -83.97 -5.31 59.2 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.26 1.0 OUTLIER -132.6 -30.21 1.47 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -118.94 -1.18 14.7 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 125.638 1.59 . . . . 0.0 115.039 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.34 -175.4 50.95 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 118.53 1.165 . . . . 0.0 114.826 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -137.38 159.86 40.72 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.193 1.797 . . . . 0.0 111.488 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -149.5 162.36 40.31 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.087 1.355 . . . . 0.0 111.817 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.3 ttm -148.17 -41.77 0.16 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.54 1.136 . . . . 0.0 113.366 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.186 0 C-N-CA 125.251 1.405 . . . . 0.0 113.165 177.864 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 4.2 ppp? . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.17 119.16 6.17 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.935 2.424 . . . . 0.0 109.971 170.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 63.4 mmt-85 -57.97 -32.67 68.07 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -169.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -73.14 -31.49 64.31 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 118.74 2.866 . . . . 0.0 118.74 173.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -66.06 -39.33 90.0 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -168.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -65.82 -13.17 58.99 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -86.54 -46.76 9.85 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 167.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -67.02 -31.02 71.28 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.229 1.012 . . . . 0.0 112.189 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.78 -29.96 63.16 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.123 -0.985 . . . . 0.0 112.487 172.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -70.98 -24.57 62.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.432 1.093 . . . . 0.0 113.076 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.05 -50.13 67.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.336 0.516 . . . . 0.0 111.372 169.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.5 ptp -73.23 -30.55 63.56 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.437 0.562 . . . . 0.0 111.873 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.33 -39.94 94.9 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.589 1.156 . . . . 0.0 111.678 171.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.33 -6.73 55.32 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.442 1.02 . . . . 0.0 114.069 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.17 -17.56 38.37 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.361 1.458 . . . . 0.0 114.252 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.31 -27.09 70.13 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 119.037 1.418 . . . . 0.0 113.417 169.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -98.1 -35.8 10.29 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.278 1.431 . . . . 0.0 112.345 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.256 1.8 p30 60.6 -31.37 0.06 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 130.651 3.58 . . . . 0.0 116.957 -178.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 54.82 13.97 0.82 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.035 2.134 . . . . 0.0 115.823 179.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -74.53 -35.62 63.14 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 120.775 -1.203 . . . . 0.0 110.632 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.271 36.8 t80 -76.14 136.35 39.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 173.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -81.56 88.87 6.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.365 1.066 . . . . 0.0 111.48 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.78 159.33 46.11 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.336 0.97 . . . . 0.0 114.268 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -66.47 -22.55 66.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.903 1.281 . . . . 0.0 113.866 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.8 m -142.78 161.84 37.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.373 1.869 . . . . 0.0 111.234 175.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.71 133.5 95.02 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.288 1.035 . . . . 0.0 111.937 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.59 45.03 1.65 Allowed 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 124.532 3.488 . . . . 0.0 112.862 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.93 126.35 22.09 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . 0.364 84.3 m-20 60.12 12.69 3.38 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 117.464 2.394 . . . . 0.0 117.464 -171.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.51 165.77 33.45 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.554 1.55 . . . . 0.0 114.679 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.32 155.05 40.59 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.851 1.26 . . . . 0.0 112.46 176.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.67 118.33 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.761 0.824 . . . . 0.0 111.37 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -158.92 160.85 36.54 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.319 1.448 . . . . 0.0 113.645 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.367 0.2 OUTLIER -119.72 15.1 12.69 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.912 1.685 . . . . 0.0 115.011 168.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.9 m 55.83 34.26 23.14 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.146 1.779 . . . . 0.0 114.573 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -63.46 -33.01 74.62 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.365 1.066 . . . . 0.0 113.597 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 mm -120.79 144.03 37.97 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.183 1.793 . . . . 0.0 109.5 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -64.43 158.35 49.84 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.474 2.782 . . . . 0.0 114.467 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.7 -6.11 34.75 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -69.06 1.91 3.16 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -59.64 -12.16 6.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -72.8 52.96 0.32 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.865 1.666 . . . . 0.0 112.274 173.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -70.9 -14.44 62.39 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.314 1.845 . . . . 0.0 114.645 -174.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.82 129.46 41.99 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.1 mt -79.26 150.53 31.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.956 0.903 . . . . 0.0 113.138 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.424 HG23 ' HD3' ' A' ' 36' ' ' PRO . 2.6 m -133.86 158.87 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 127.723 2.409 . . . . 0.0 111.746 169.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.72 92.98 26.52 Favored Pre-proline 0 N--CA 1.472 0.641 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 169.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' HG23 ' A' ' 34' ' ' VAL . 55.4 Cg_endo -69.31 173.31 10.76 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.319 2.679 . . . . 0.0 113.972 -173.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 19.0 ptpt -60.65 150.92 73.59 Favored Pre-proline 0 N--CA 1.481 1.086 0 C-N-CA 124.181 0.992 . . . . 0.0 111.934 173.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -63.85 -28.33 67.48 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.936 2.424 . . . . 0.0 114.144 -175.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.92 -35.01 77.14 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.815 0.734 . . . . 0.0 112.197 171.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 tp -76.31 -43.45 41.28 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 122.863 0.465 . . . . 0.0 110.441 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.81 -42.99 76.47 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.388 0.54 . . . . 0.0 111.864 172.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -57.83 -42.68 84.85 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.146 0.978 . . . . 0.0 112.52 171.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.96 -42.2 85.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.144 0.978 . . . . 0.0 111.701 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.2 mt -64.44 -41.96 96.26 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.417 1.087 . . . . 0.0 110.498 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.64 -22.78 62.47 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.9 m -64.19 -20.24 65.88 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.9 m -110.52 15.62 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.916 1.686 . . . . 0.0 113.232 168.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.93 29.31 34.94 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.042 1.306 . . . . 0.0 115.893 168.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.51 138.08 53.05 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.203 1.501 . . . . 0.0 111.214 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -102.08 -13.03 17.67 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 116.272 1.952 . . . . 0.0 116.272 -167.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -91.94 163.01 14.17 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.528 1.131 . . . . 0.0 112.806 -169.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -97.61 -5.03 36.38 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.967 1.707 . . . . 0.0 115.35 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -152.37 150.13 29.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.42 1.888 . . . . 0.0 106.104 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.39 149.77 43.06 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -171.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.255 0.7 OUTLIER -77.1 155.14 32.63 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 166.128 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 84.2 mmm -59.12 -34.05 71.58 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.78 -1.2 . . . . 0.0 112.464 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -73.8 -35.24 64.88 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.863 0.865 . . . . 0.0 112.789 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -62.46 -43.96 97.55 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.113 0.87 . . . . 0.0 112.397 169.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.58 -50.76 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.859 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -55.16 -45.23 75.68 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.415 1.007 . . . . 0.0 111.929 175.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -53.88 -57.37 11.17 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 173.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -63.94 -40.36 96.28 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.97 -42.21 97.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.885 1.274 . . . . 0.0 111.427 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.16 -44.87 97.58 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 123.35 0.5 . . . . 0.0 112.423 173.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -62.89 -32.76 74.09 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.774 1.23 . . . . 0.0 112.545 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -65.88 -54.32 28.12 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 171.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.32 -39.12 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.488 1.115 . . . . 0.0 111.14 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.9 ttm -61.9 -57.42 11.82 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.582 1.553 . . . . 0.0 112.03 173.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.33 -35.18 79.72 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -74.8 -14.25 60.67 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.798 1.639 . . . . 0.0 113.367 172.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 53.16 45.81 27.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.105 2.162 . . . . 0.0 113.641 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.1 mt -78.11 -5.19 50.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.49 1.116 . . . . 0.0 113.982 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -69.32 147.5 51.04 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -64.28 133.67 53.19 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -66.81 -26.97 67.19 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.146 -0.971 . . . . 0.0 113.243 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -84.0 -54.54 4.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.914 1.286 . . . . 0.0 111.56 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.12 100.39 9.94 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.837 1.255 . . . . 0.0 111.385 172.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -60.3 -21.79 62.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.836 0.854 . . . . 0.0 113.25 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -87.32 -2.38 58.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.881 1.673 . . . . 0.0 113.998 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.96 135.71 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 119.956 1.253 . . . . 0.0 109.841 174.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 p -114.98 135.46 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.211 1.404 . . . . 0.0 110.361 176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.256 46.0 m-85 -99.53 97.54 8.53 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.162 1.785 . . . . 0.0 115.05 174.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.5 m -77.65 -21.51 52.06 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.181 1.393 . . . . 0.0 112.409 -176.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.0 p -58.89 150.69 23.53 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.954 1.301 . . . . 0.0 113.543 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 59.14 17.34 5.52 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.96 1.704 . . . . 0.0 115.114 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -137.37 165.76 25.45 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.571 1.548 . . . . 0.0 112.162 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.1 tp -49.37 -36.58 22.04 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.301 1.44 . . . . 0.0 112.204 169.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.0 tp -55.03 -35.18 64.17 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.16 -32.52 84.21 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.048 0.833 . . . . 0.0 113.57 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.01 -26.12 61.21 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.83 -60.44 2.23 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.811 0.845 . . . . 0.0 111.302 169.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.284 44.2 m-85 -74.74 -24.0 58.65 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 118.54 2.792 . . . . 0.0 118.54 -173.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.86 15.91 74.17 Favored Glycine 0 CA--C 1.54 1.626 0 N-CA-C 114.79 0.676 . . . . 0.0 114.79 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.44 153.9 74.87 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 126.28 1.832 . . . . 0.0 109.011 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.47 -28.07 22.3 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.223 2.615 . . . . 0.0 113.334 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.2 p -166.09 162.7 17.96 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.253 1.421 . . . . 0.0 112.185 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -154.76 159.23 40.51 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.224 0.61 . . . . 0.0 111.977 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.9 t -87.15 125.8 34.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.518 0.727 . . . . 0.0 110.415 168.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.0 -22.84 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.952 1.701 . . . . 0.0 112.386 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -69.42 -12.88 62.03 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 171.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -77.1 49.76 0.7 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.739 1.215 . . . . 0.0 111.588 173.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -53.27 -43.59 67.57 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.708 1.203 . . . . 0.0 112.692 -169.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -58.93 -34.61 71.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.478 1.111 . . . . 0.0 113.806 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -75.58 -45.99 34.49 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.37 1.068 . . . . 0.0 110.763 173.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.47 -42.83 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.278 0.631 . . . . 0.0 110.831 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -57.57 -44.9 85.65 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.311 1.0 OUTLIER -67.34 -34.91 78.31 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 173.293 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.1 mtm -65.8 -40.07 91.56 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.225 -0.922 . . . . 0.0 112.378 170.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.5 mmm -65.34 -40.83 94.16 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.102 0.961 . . . . 0.0 111.892 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.22 81.64 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.602 0.761 . . . . 0.0 112.542 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.2 t -60.92 -34.83 75.29 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.089 -1.007 . . . . 0.0 112.637 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.4 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 35.1 mtt -69.08 -9.69 53.87 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p -121.42 -30.82 4.18 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.38 -30.31 50.19 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.714 1.15 . . . . 0.0 113.886 169.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.26 168.35 29.97 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.042 1.306 . . . . 0.0 115.196 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.25 65.96 6.6 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.739 1.615 . . . . 0.0 111.622 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -64.33 -15.65 60.73 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -172.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.1 tpp -63.73 -29.32 70.56 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.605 1.162 . . . . 0.0 113.103 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 CA-C-O 118.028 -1.429 . . . . 0.0 114.117 -178.916 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 119.008 -0.52 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.6 139.47 48.8 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.029 2.486 . . . . 0.0 111.349 173.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 156.51 33.01 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.806 0.842 . . . . 0.0 112.727 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -38.02 -44.31 0.8 Allowed 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 118.648 2.833 . . . . 0.0 118.648 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -61.42 -30.36 70.52 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.52 -19.63 65.83 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.108 -0.995 . . . . 0.0 113.299 176.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -87.43 -43.43 12.09 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 167.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -65.68 -34.48 78.3 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.497 1.119 . . . . 0.0 112.042 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.14 -32.91 64.7 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.195 0.998 . . . . 0.0 112.69 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -72.38 -20.26 61.48 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.593 1.157 . . . . 0.0 112.877 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.58 -47.07 80.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.229 0.468 . . . . 0.0 110.347 168.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 19.0 mtm -76.88 -35.71 57.24 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.323 0.649 . . . . 0.0 111.973 -174.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.35 -16.81 64.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.422 1.089 . . . . 0.0 113.468 169.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.94 -129.13 5.0 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.949 1.737 . . . . 0.0 113.793 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.31 -139.95 33.06 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.188 1.375 . . . . 0.0 112.705 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.08 -112.26 2.78 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.836 1.208 . . . . 0.0 113.659 170.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -65.47 -21.68 66.67 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.682 1.193 . . . . 0.0 114.191 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.31 -51.05 9.94 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.38 -0.825 . . . . 0.0 111.671 175.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -163.21 146.26 10.45 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.325 1.85 . . . . 0.0 109.737 174.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -146.94 -49.97 0.19 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -66.44 165.19 14.79 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 169.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -64.85 110.76 2.53 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.409 -0.807 . . . . 0.0 110.36 171.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.78 -12.36 84.59 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-O 118.783 -1.009 . . . . 0.0 115.48 -171.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 62.7 mtt 53.2 60.36 3.8 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.491 1.516 . . . . 0.0 111.455 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.9 m 61.33 48.84 5.76 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.163 1.785 . . . . 0.0 112.961 -168.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 t 68.79 130.37 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.953 1.701 . . . . 0.0 113.67 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -64.62 -31.15 60.1 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.593 2.196 . . . . 0.0 113.878 -173.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 t -153.96 140.21 18.54 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.375 1.47 . . . . 0.0 113.677 169.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -83.1 168.03 17.26 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-O 121.862 0.839 . . . . 0.0 110.247 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.55 -10.27 38.29 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 125.144 1.354 . . . . 0.0 113.877 -169.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.15 149.12 49.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.835 1.254 . . . . 0.0 111.635 169.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 m -136.76 161.45 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.889 1.676 . . . . 0.0 111.851 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.288 1.2 p -65.79 141.18 58.39 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 176.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.67 136.78 26.1 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.829 1.651 . . . . 0.0 114.316 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.7 m -55.53 130.5 43.12 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -172.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -146.9 167.5 23.8 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.536 1.934 . . . . 0.0 111.256 -175.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 pt -68.64 149.63 97.9 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 123.284 0.634 . . . . 0.0 111.935 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -61.06 164.76 13.66 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.36 2.707 . . . . 0.0 114.833 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.04 154.94 17.97 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.265 1.026 . . . . 0.0 112.767 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.1 t -62.1 126.21 26.54 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.141 0.976 . . . . 0.0 113.314 -173.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -68.99 -15.24 63.43 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.863 1.265 . . . . 0.0 113.072 176.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -70.45 -23.75 62.76 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.464 1.106 . . . . 0.0 113.265 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 62.75 137.32 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 128.215 2.606 . . . . 0.0 116.353 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.84 126.12 18.62 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.2 mt -74.51 149.55 40.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.456 1.102 . . . . 0.0 112.586 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.8 -21.44 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -175.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 51.79 83.29 0.23 Allowed Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 127.513 2.325 . . . . 0.0 112.713 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.63 163.2 33.83 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.83 2.353 . . . . 0.0 113.262 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -54.14 142.12 48.38 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.831 2.052 . . . . 0.0 111.576 172.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -55.4 -34.1 87.92 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.102 2.535 . . . . 0.0 114.963 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.4 -34.36 77.78 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.84 0.856 . . . . 0.0 112.874 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.4 tp -74.44 -42.85 58.41 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.14 0.976 . . . . 0.0 110.912 172.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.64 HD11 ' HE2' ' A' ' 45' ' ' LYS . 53.8 tp -56.59 -37.87 71.23 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.6 0.76 . . . . 0.0 112.297 174.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -60.25 -36.6 78.15 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.567 1.147 . . . . 0.0 112.956 171.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -47.06 86.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.247 1.019 . . . . 0.0 110.459 173.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.79 -40.69 97.27 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.505 -0.747 . . . . 0.0 111.531 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.64 ' HE2' HD11 ' A' ' 41' ' ' LEU . 57.1 mttm -70.7 -20.73 62.65 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 176.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.0 m -66.42 -17.88 65.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.739 0.815 . . . . 0.0 112.374 168.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.6 m -113.99 15.98 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.153 1.781 . . . . 0.0 113.268 168.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.93 25.24 46.04 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 116.959 1.544 . . . . 0.0 116.959 168.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.0 119.11 10.15 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.418 1.609 . . . . 0.0 111.255 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -75.29 -43.39 51.38 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -167.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -68.84 174.33 4.49 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.815 1.646 . . . . 0.0 113.003 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -112.37 1.54 16.07 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.498 1.919 . . . . 0.0 115.763 169.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -138.29 140.32 39.53 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.1 1.76 . . . . 0.0 106.961 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -143.81 155.58 44.19 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -171.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -85.48 159.79 19.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.519 1.128 . . . . 0.0 114.006 167.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.6 mtp -57.69 -36.79 72.44 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.046 1.294 . . . . 0.0 112.8 176.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.46 -42.31 92.46 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.914 1.286 . . . . 0.0 111.592 172.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.58 -41.66 92.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.252 0.933 . . . . 0.0 113.207 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.71 -51.91 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.858 0.863 . . . . 0.0 109.996 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.1 mt -58.48 -43.83 89.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.476 0.71 . . . . 0.0 111.346 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -52.63 -55.72 20.46 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 175.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -64.16 -38.43 91.03 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 175.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -64.44 -40.78 96.38 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.066 0.946 . . . . 0.0 111.553 173.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.66 -43.34 99.39 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 121.616 -0.677 . . . . 0.0 112.235 172.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -61.39 -33.9 74.44 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.363 1.082 . . . . 0.0 113.273 171.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -67.68 -50.34 58.2 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.8 mt -60.63 -38.58 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.509 1.124 . . . . 0.0 111.13 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 44.2 ttm -61.61 -58.22 8.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.288 1.435 . . . . 0.0 111.966 172.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -64.99 -32.5 74.26 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -177.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -81.72 -14.51 56.43 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.809 1.644 . . . . 0.0 114.232 173.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 51.88 48.4 22.87 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.135 2.174 . . . . 0.0 113.513 -174.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.86 -8.12 56.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -64.49 147.92 51.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 172.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -60.33 130.71 47.99 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 171.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.47 -26.17 65.03 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -87.11 -68.95 0.71 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.714 1.206 . . . . 0.0 111.813 170.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -88.8 99.76 12.62 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.672 0.789 . . . . 0.0 111.402 -177.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -64.67 -19.66 65.85 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.506 -0.746 . . . . 0.0 112.424 -175.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -89.51 10.35 23.16 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.198 1.799 . . . . 0.0 114.223 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.0 mt -126.0 136.2 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.996 1.271 . . . . 0.0 109.906 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.09 139.8 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.919 1.688 . . . . 0.0 112.986 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -122.6 125.92 46.65 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.064 2.146 . . . . 0.0 114.455 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.5 t -158.68 106.44 1.88 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.85 0.86 . . . . 0.0 110.395 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.2 p -121.48 151.45 40.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.563 1.545 . . . . 0.0 111.59 169.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.79 25.63 8.6 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.728 1.611 . . . . 0.0 115.214 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -143.65 168.68 19.31 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.721 1.608 . . . . 0.0 108.754 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.1 tp -50.06 -51.05 45.63 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.66 1.584 . . . . 0.0 114.742 -168.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.51 -34.03 77.31 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.267 0.94 . . . . 0.0 113.444 -175.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.77 -33.79 86.44 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 123.598 0.618 . . . . 0.0 112.848 171.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -71.79 -30.46 65.56 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 171.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.25 -56.87 6.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.394 0.677 . . . . 0.0 111.662 169.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.281 32.6 m-85 -69.17 -26.05 64.66 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 117.526 2.417 . . . . 0.0 117.526 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.36 16.18 77.24 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.905 0.764 . . . . 0.0 114.431 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.68 151.09 62.3 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 126.236 1.814 . . . . 0.0 109.16 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.8 -22.11 24.06 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.557 2.838 . . . . 0.0 113.314 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.3 p -161.05 160.92 31.09 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.931 1.292 . . . . 0.0 112.879 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -157.22 155.95 31.74 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.165 0.986 . . . . 0.0 110.471 173.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -87.33 128.43 35.18 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.125 0.97 . . . . 0.0 112.167 170.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.81 -37.23 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.627 1.571 . . . . 0.0 112.514 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.33 -24.87 62.19 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.544 1.138 . . . . 0.0 113.024 -178.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -77.7 56.5 1.49 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.221 1.408 . . . . 0.0 111.514 172.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -49.98 -40.35 43.85 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.398 1.479 . . . . 0.0 114.293 -168.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -50.42 -42.35 53.71 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.299 1.44 . . . . 0.0 114.132 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -73.28 -31.11 63.87 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.569 1.148 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.7 mt -72.11 -45.97 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.825 -0.547 . . . . 0.0 110.821 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -56.12 -46.33 79.2 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.4 t -61.63 -38.05 86.22 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 174.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 74.2 mtm -72.73 -43.23 63.21 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.335 0.654 . . . . 0.0 112.037 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.1 mmm -63.41 -40.22 96.61 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.956 0.902 . . . . 0.0 111.728 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.23 86.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.037 0.535 . . . . 0.0 111.919 173.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.5 m -70.76 -11.56 61.02 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 40.0 mtt -84.84 -4.18 58.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.241 1.016 . . . . 0.0 113.699 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.251 1.1 p -133.25 -36.87 0.98 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.96 157.18 24.95 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.916 1.722 . . . . 0.0 113.371 170.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.02 -158.47 50.47 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.197 0.903 . . . . 0.0 114.11 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -151.45 152.73 33.44 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.039 1.336 . . . . 0.0 111.798 176.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -79.97 155.78 27.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.277 1.031 . . . . 0.0 112.458 174.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 97.2 mtp -75.13 -15.65 60.58 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 170.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.521 2.01 . . . . 0.0 113.214 178.596 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 118.987 -0.53 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -58.38 156.63 29.86 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.892 3.061 . . . . 0.0 113.766 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -140.54 163.42 32.89 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.282 1.833 . . . . 0.0 112.84 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -40.48 -45.46 2.24 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 176.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -63.97 -27.07 68.88 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -65.98 -36.18 82.62 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.011 -1.056 . . . . 0.0 111.697 173.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -68.0 -40.02 83.1 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 168.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -73.42 -36.59 66.0 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.972 0.509 . . . . 0.0 112.057 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 19.4 tp -59.85 -31.26 69.6 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.459 -1.401 . . . . 0.0 112.182 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -67.38 -18.68 65.23 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.609 1.563 . . . . 0.0 112.884 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.4 mt -75.32 -49.59 18.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.394 1.078 . . . . 0.0 111.727 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.2 ptp -72.04 -23.57 61.4 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.825 0.739 . . . . 0.0 111.926 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -94.4 20.76 7.87 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.962 1.705 . . . . 0.0 111.487 167.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.33 -22.5 72.93 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.788 1.185 . . . . 0.0 115.13 -170.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.06 -9.29 56.65 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-N 118.4 1.1 . . . . 0.0 114.0 169.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.51 -149.74 6.28 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.965 1.745 . . . . 0.0 114.027 173.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -52.44 -27.14 14.83 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.667 1.987 . . . . 0.0 116.026 -168.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -77.19 -27.96 53.76 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.1 mt -136.34 12.47 3.27 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 120.031 1.287 . . . . 0.0 114.335 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -57.17 -30.61 64.64 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 118.324 2.713 . . . . 0.0 118.324 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.287 36.3 t80 -55.43 128.45 34.39 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 117.882 2.549 . . . . 0.0 117.882 -175.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -82.24 93.33 7.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.441 1.097 . . . . 0.0 111.177 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.5 -146.75 11.98 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.13 0.871 . . . . 0.0 113.592 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.93 178.5 0.81 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.964 1.706 . . . . 0.0 112.858 172.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m 63.62 12.15 6.29 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -143.35 138.09 15.22 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.888 1.675 . . . . 0.0 106.844 -169.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.88 145.35 50.44 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.061 3.174 . . . . 0.0 113.177 -172.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -82.16 162.56 22.4 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 170.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 p30 -71.66 -44.51 64.16 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 173.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.72 155.33 17.56 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.47 1.51 . . . . 0.0 114.101 -176.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.42 137.84 56.21 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.891 0.876 . . . . 0.0 112.45 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.346 0.4 OUTLIER 56.59 23.93 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 179.277 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.275 1.2 t -60.14 144.25 50.3 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -176.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.38 0.2 OUTLIER 61.62 6.57 1.58 Allowed 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 -175.611 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t 56.15 -168.24 0.1 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.116 1.766 . . . . 0.0 113.233 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.4 137.94 57.81 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.819 -1.175 . . . . 0.0 111.616 174.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 24.5 pt -72.61 150.4 91.15 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 123.941 0.896 . . . . 0.0 113.17 -175.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -72.28 179.84 4.65 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 123.602 2.868 . . . . 0.0 111.297 169.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.48 148.17 29.24 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.502 -0.749 . . . . 0.0 112.008 170.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.6 p -63.78 -8.95 12.09 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -173.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -64.38 -21.24 66.57 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.385 1.474 . . . . 0.0 113.585 171.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -141.82 148.66 39.22 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.548 1.139 . . . . 0.0 112.994 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.22 151.55 47.33 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.915 1.286 . . . . 0.0 112.787 176.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 128.63 18.46 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.25 153.43 19.29 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.276 1.43 . . . . 0.0 112.581 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.7 m -126.81 159.42 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 127.459 2.304 . . . . 0.0 112.281 169.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.97 90.86 5.71 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 124.663 1.185 . . . . 0.0 110.078 172.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.56 145.62 87.67 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.685 2.256 . . . . 0.0 111.857 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 15.7 ptpt -61.87 157.71 48.16 Favored Pre-proline 0 N--CA 1.479 1.014 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.925 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -54.67 -37.44 91.32 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.127 2.551 . . . . 0.0 115.255 -172.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.31 -44.14 97.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.574 0.749 . . . . 0.0 112.216 175.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.1 tp -70.35 -46.38 64.24 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 123.499 0.72 . . . . 0.0 110.157 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.568 HD11 ' HE2' ' A' ' 45' ' ' LYS . 44.2 tp -56.68 -42.27 78.75 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.819 -0.55 . . . . 0.0 112.098 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -62.0 -39.26 91.62 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.0 112.823 171.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.93 -42.94 94.25 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.103 0.961 . . . . 0.0 111.485 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.87 -46.16 86.19 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.546 1.138 . . . . 0.0 110.671 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.568 ' HE2' HD11 ' A' ' 41' ' ' LEU . 44.4 mttm -66.59 -22.99 66.13 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.5 m -64.03 -19.2 65.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.967 0.803 . . . . 0.0 113.127 170.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.7 m -113.41 19.8 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.805 1.642 . . . . 0.0 112.911 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.02 34.78 32.56 Favored Glycine 0 CA--C 1.532 1.141 0 N-CA-C 116.031 1.172 . . . . 0.0 116.031 168.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.33 -21.24 64.76 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 118.966 1.383 . . . . 0.0 114.077 -177.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 65.71 -47.4 0.39 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 129.222 3.009 . . . . 0.0 117.769 170.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -69.12 173.06 5.92 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.151 1.38 . . . . 0.0 113.714 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -101.66 -10.11 20.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.708 1.603 . . . . 0.0 114.659 169.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -146.4 143.85 29.33 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.998 1.719 . . . . 0.0 106.984 -171.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -147.56 154.9 41.29 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -168.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -76.42 157.22 32.47 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 165.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.8 mmm -60.53 -30.72 69.92 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.488 -1.382 . . . . 0.0 112.946 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -66.32 -44.36 83.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.608 1.163 . . . . 0.0 111.224 173.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.57 -42.57 95.54 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.187 0.995 . . . . 0.0 112.765 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.13 -49.77 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 118.568 -0.729 . . . . 0.0 109.46 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.4 mt -60.04 -43.28 95.45 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.27 0.941 . . . . 0.0 111.756 176.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.87 -56.7 17.44 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -65.55 -38.73 90.44 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.69 -45.71 92.82 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.305 1.042 . . . . 0.0 111.174 173.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.02 99.98 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 123.624 0.63 . . . . 0.0 113.271 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -64.95 -32.97 74.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.934 1.294 . . . . 0.0 112.51 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -65.91 -50.47 64.35 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 170.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.68 -39.92 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.756 1.222 . . . . 0.0 111.099 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.8 ttm -62.95 -58.74 6.32 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.707 1.603 . . . . 0.0 112.073 173.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.35 -33.36 75.56 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -174.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.17 -1.03 42.98 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.208 1.403 . . . . 0.0 113.785 171.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 53.07 38.4 27.27 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 127.598 2.359 . . . . 0.0 113.339 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.4 mt -71.19 -10.35 59.6 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -172.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -66.88 146.96 53.85 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 169.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -66.62 130.85 44.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 -59.18 -26.92 65.21 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -84.05 -65.14 1.04 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.362 1.065 . . . . 0.0 111.39 172.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -99.86 88.14 3.7 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.223 1.009 . . . . 0.0 110.655 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -67.17 -11.51 57.52 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -82.53 -0.19 45.48 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.123 1.369 . . . . 0.0 113.634 169.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.0 mt -111.83 126.0 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.418 1.487 . . . . 0.0 109.661 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.1 t -97.29 131.59 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.591 1.556 . . . . 0.0 109.71 175.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -98.62 134.34 41.69 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.71 1.604 . . . . 0.0 114.043 168.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.1 p -145.3 18.85 1.56 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -169.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 p -59.3 105.39 0.34 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.687 1.195 . . . . 0.0 113.315 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.27 0.9 OUTLIER 53.36 13.79 0.47 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 128.919 2.888 . . . . 0.0 117.734 176.25 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.312 11.3 p30 -99.27 59.37 1.13 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.87 1.668 . . . . 0.0 114.662 175.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.8 tp 62.86 -53.38 0.17 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 128.859 2.864 . . . . 0.0 114.727 -172.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.11 -34.0 74.27 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -172.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.71 -24.97 74.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 121.523 -0.736 . . . . 0.0 114.201 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -71.15 -27.98 63.94 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.736 1.268 . . . . 0.0 113.871 170.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.34 -59.46 2.77 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.175 0.99 . . . . 0.0 112.077 169.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.314 32.5 m-85 -69.26 -21.64 63.89 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.39 16.68 80.47 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.366 0.984 . . . . 0.0 114.906 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 m -143.26 154.96 61.51 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 125.789 1.636 . . . . 0.0 110.164 -175.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.88 -21.26 16.34 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.833 3.022 . . . . 0.0 113.63 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.9 p -164.61 161.75 21.15 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.59 1.556 . . . . 0.0 111.865 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -155.33 154.7 32.46 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.018 0.927 . . . . 0.0 111.164 172.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.6 t -87.13 127.79 35.13 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.591 -0.693 . . . . 0.0 111.351 169.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.22 -22.69 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.793 1.637 . . . . 0.0 112.815 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.93 -22.69 66.95 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.314 1.446 . . . . 0.0 113.831 173.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -81.9 52.29 1.92 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.302 1.441 . . . . 0.0 111.961 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -50.71 -46.65 59.04 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.623 1.569 . . . . 0.0 114.514 -169.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -69.17 -30.06 68.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -72.8 -44.74 61.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.415 0.686 . . . . 0.0 110.384 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.9 mt -56.98 -46.44 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.382 174.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -49.67 -50.67 42.62 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.29 1.0 OUTLIER -67.12 -38.02 84.88 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.308 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.7 mtm -67.26 -38.35 84.99 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.597 -0.69 . . . . 0.0 112.001 174.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -80.21 -30.73 38.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.574 1.15 . . . . 0.0 112.212 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.15 77.36 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.137 -0.977 . . . . 0.0 111.381 169.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.2 m -67.68 -5.44 15.88 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 173.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.416 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 44.8 mtt -89.61 -13.8 36.38 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.399 1.079 . . . . 0.0 113.557 170.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 p -131.96 -14.59 3.08 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -172.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -146.84 -154.82 6.3 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 126.285 1.898 . . . . 0.0 112.743 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.36 -150.33 28.5 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.192 0.901 . . . . 0.0 113.216 -174.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -147.42 166.48 27.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.874 1.27 . . . . 0.0 112.798 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -68.75 149.46 49.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.823 0.849 . . . . 0.0 111.475 169.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.6 ptm -78.87 -14.92 58.97 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.929 1.728 . . . . 0.0 112.97 -179.549 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 118.971 -0.537 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -70.34 142.7 46.03 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 122.967 2.445 . . . . 0.0 111.346 173.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -144.17 152.84 41.44 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.468 1.507 . . . . 0.0 112.619 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -47.99 -47.63 32.96 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 175.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -66.31 -27.93 68.29 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.16 -36.63 84.84 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.957 -1.089 . . . . 0.0 112.075 173.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -69.94 -41.16 74.94 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -71.88 -35.24 69.7 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.902 0.881 . . . . 0.0 111.941 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 17.3 tp -62.07 -30.63 71.13 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.647 -1.283 . . . . 0.0 112.181 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -68.29 -16.3 63.9 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.623 1.169 . . . . 0.0 113.178 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.31 -56.78 5.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.345 0.658 . . . . 0.0 109.896 167.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.2 ptp -71.95 -24.0 61.54 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -174.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -95.39 9.38 40.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.69 1.596 . . . . 0.0 113.617 173.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.79 -15.32 68.83 Favored Glycine 0 CA--C 1.538 1.52 0 O-C-N 121.127 -0.983 . . . . 0.0 115.111 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.36 -173.04 39.46 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.6 1.571 . . . . 0.0 112.753 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.57 -7.47 88.05 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.022 0.82 . . . . 0.0 115.036 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -141.08 170.27 16.04 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.396 1.879 . . . . 0.0 110.913 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -76.24 45.73 0.38 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.09 1.756 . . . . 0.0 112.905 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tp 53.46 35.87 21.73 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.277 2.231 . . . . 0.0 114.76 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -63.43 147.66 50.65 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.277 34.6 t80 -55.14 -36.39 65.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 117.726 2.491 . . . . 0.0 117.726 -175.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -137.71 134.83 35.81 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.127 1.371 . . . . 0.0 110.8 169.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.23 176.44 35.24 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.057 1.313 . . . . 0.0 112.746 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -81.13 155.25 26.33 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.625 0.77 . . . . 0.0 112.526 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 m 56.35 26.89 11.17 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.35 144.34 16.53 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 125.646 1.578 . . . . 0.0 108.464 -175.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -72.85 156.27 52.86 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.923 3.082 . . . . 0.0 113.153 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -43.81 86.71 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -155.92 -59.44 0.1 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.594 1.558 . . . . 0.0 114.364 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.82 151.04 19.75 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.136 1.827 . . . . 0.0 112.077 169.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.47 38.95 0.12 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.801 1.64 . . . . 0.0 115.127 -172.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 m -74.64 -18.41 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.621 1.569 . . . . 0.0 114.579 177.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 p -72.29 162.12 29.91 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.264 1.0 OUTLIER -63.11 155.26 28.45 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 -178.801 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -78.61 43.43 0.48 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.197 1.399 . . . . 0.0 112.84 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -70.23 114.9 8.83 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.664 -1.272 . . . . 0.0 110.856 175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -74.25 145.03 82.45 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.977 0.911 . . . . 0.0 112.29 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.06 157.02 55.18 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.283 2.655 . . . . 0.0 112.963 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.18 132.55 13.72 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.995 1.318 . . . . 0.0 111.236 171.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.1 t -162.92 153.08 16.15 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.55 1.54 . . . . 0.0 111.181 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -79.38 -13.26 59.73 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.748 1.219 . . . . 0.0 113.043 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -149.66 161.16 42.75 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.187 1.395 . . . . 0.0 113.547 -171.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -139.99 139.46 36.06 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.504 1.522 . . . . 0.0 111.415 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.39 134.27 48.82 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -174.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -76.74 143.16 40.12 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.044 0.938 . . . . 0.0 111.525 170.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 m -106.54 -24.68 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 47.02 74.36 0.83 Allowed Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.211 2.204 . . . . 0.0 112.754 -172.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.38 170.1 20.71 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.164 2.576 . . . . 0.0 112.99 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -58.5 148.93 63.49 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 123.931 0.892 . . . . 0.0 112.219 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -62.6 -25.77 75.56 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.029 2.486 . . . . 0.0 113.582 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 tp -61.12 -35.74 77.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.921 0.888 . . . . 0.0 112.264 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -77.26 -41.06 42.49 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.154 0.582 . . . . 0.0 111.714 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.3 tp -53.93 -40.28 66.62 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.978 0.511 . . . . 0.0 111.537 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.52 -40.56 91.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.898 0.879 . . . . 0.0 113.078 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.68 -43.71 92.67 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.02 0.928 . . . . 0.0 111.987 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.79 -42.24 95.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.53 0.732 . . . . 0.0 110.501 177.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -70.12 -21.25 63.13 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.609 -1.307 . . . . 0.0 114.41 176.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.6 m -64.36 -21.07 66.5 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.951 0.796 . . . . 0.0 112.842 169.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 m -108.43 15.69 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 125.841 1.657 . . . . 0.0 113.335 168.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.25 33.49 39.84 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.845 1.212 . . . . 0.0 114.78 170.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.49 135.9 54.9 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 118.67 1.235 . . . . 0.0 110.681 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -83.46 -3.66 57.8 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.249 2.685 . . . . 0.0 118.249 -165.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -130.37 175.57 8.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.381 1.472 . . . . 0.0 113.714 -169.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -107.2 -1.02 22.27 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.225 1.81 . . . . 0.0 115.293 168.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 p -143.4 144.22 31.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.524 1.93 . . . . 0.0 107.038 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -145.36 157.48 44.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.909 1.284 . . . . 0.0 113.981 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -83.47 161.13 21.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.441 1.096 . . . . 0.0 113.714 167.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 29.5 mtp -58.4 -35.58 72.24 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.789 -1.194 . . . . 0.0 112.801 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -65.09 -45.53 84.83 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.493 1.117 . . . . 0.0 111.283 174.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.9 -41.27 95.73 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.106 0.962 . . . . 0.0 112.911 177.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.34 -48.13 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.425 -0.798 . . . . 0.0 109.642 175.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.3 mt -58.31 -45.59 87.72 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.644 1.111 . . . . 0.0 111.303 175.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -53.82 -52.6 59.84 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 116.307 1.965 . . . . 0.0 116.307 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -71.96 -34.6 69.12 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.8 tp -65.24 -41.57 94.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.185 0.994 . . . . 0.0 111.569 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.1 99.74 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 121.614 -0.679 . . . . 0.0 112.621 172.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -62.07 -35.67 79.35 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.129 0.964 . . . . 0.0 113.329 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -66.21 -48.28 71.12 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.519 0.6 . . . . 0.0 112.405 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.7 mt -60.2 -38.64 78.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.262 1.025 . . . . 0.0 111.433 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.9 mtm -63.6 -56.49 15.48 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 172.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -63.13 -32.53 73.94 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -80.73 -17.94 49.42 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.79 1.636 . . . . 0.0 114.467 173.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 50.96 49.83 20.35 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.013 2.125 . . . . 0.0 113.296 -172.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.9 mt -73.79 -10.38 59.61 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -66.68 151.51 47.24 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 173.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.69 134.21 53.75 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 170.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -65.43 -27.86 68.82 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -81.42 -45.19 16.42 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.177 0.991 . . . . 0.0 111.587 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -129.67 100.28 5.45 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.126 1.37 . . . . 0.0 112.722 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -66.12 -15.7 63.33 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -73.94 -2.63 24.81 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 172.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.7 mt -116.82 135.16 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.642 1.577 . . . . 0.0 109.632 177.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.78 134.64 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.72 1.608 . . . . 0.0 110.538 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.277 65.1 m-85 -109.71 65.1 0.61 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 127.248 2.219 . . . . 0.0 115.374 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 p -70.88 -0.86 10.06 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 -172.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.4 t -51.82 143.7 12.71 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.316 1.846 . . . . 0.0 114.819 -175.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 56.08 26.74 10.46 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.459 1.904 . . . . 0.0 115.029 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -143.46 173.45 11.62 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.95 1.3 . . . . 0.0 108.624 -178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.3 tp -54.74 -40.52 69.4 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.571 1.548 . . . . 0.0 113.466 -172.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.33 -35.98 76.48 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 178.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.44 -36.02 92.08 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 121.65 -0.656 . . . . 0.0 112.346 173.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.77 -31.0 71.35 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 170.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.8 mt -75.75 -58.0 3.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.967 1.307 . . . . 0.0 112.637 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -70.21 -21.07 63.06 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.49 20.91 76.21 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.484 1.04 . . . . 0.0 114.774 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.37 153.4 65.97 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 125.323 1.449 . . . . 0.0 110.732 -176.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -73.34 -26.42 14.47 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.512 2.808 . . . . 0.0 113.454 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.9 p -162.2 160.35 26.93 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.807 1.243 . . . . 0.0 112.186 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -157.19 157.68 34.83 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.255 1.022 . . . . 0.0 109.904 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -91.63 130.36 37.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.946 0.898 . . . . 0.0 111.367 169.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.69 -26.74 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.566 1.146 . . . . 0.0 112.478 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -70.3 -16.24 62.99 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.49 1.116 . . . . 0.0 113.263 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -77.03 52.29 0.87 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.624 -1.297 . . . . 0.0 111.612 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -53.07 -45.78 68.28 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.315 1.446 . . . . 0.0 112.637 -171.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 ttm105 -58.78 -38.55 78.77 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.155 1.382 . . . . 0.0 112.972 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -69.24 -47.94 63.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.205 1.002 . . . . 0.0 110.906 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.9 mt -56.63 -45.99 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.256 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -57.33 -40.92 78.97 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.301 1.0 OUTLIER -73.9 -38.97 64.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 175.581 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 59.9 mtm -64.74 -36.66 85.03 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.353 -0.842 . . . . 0.0 112.158 172.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -34.8 57.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.266 1.026 . . . . 0.0 111.543 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.9 73.12 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.215 -0.928 . . . . 0.0 112.783 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.1 m -63.54 -14.63 53.15 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 55.8 mtt -77.94 -4.85 48.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.705 1.202 . . . . 0.0 114.004 173.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.372 0.7 OUTLIER -114.56 15.48 17.74 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -174.836 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -159.84 -158.14 9.01 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.719 1.628 . . . . 0.0 112.899 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.51 -147.91 37.92 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 123.999 0.809 . . . . 0.0 113.541 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -147.94 166.75 26.74 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.356 1.462 . . . . 0.0 112.229 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -146.39 162.4 38.3 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.514 1.525 . . . . 0.0 111.737 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -64.91 148.74 50.9 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.627 1.171 . . . . 0.0 112.883 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 C-N-CA 125.25 1.405 . . . . 0.0 113.652 176.169 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 20.8 t80 . . . . . 0 CA--C 1.54 0.572 0 N-CA-C 117.376 2.361 . . . . 0.0 117.376 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -66.19 -28.57 68.86 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -64.49 -35.41 80.86 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.217 -0.927 . . . . 0.0 111.365 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -71.14 -43.37 67.71 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 169.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -66.28 -35.49 80.52 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.05 0.94 . . . . 0.0 111.655 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 39.1 tp -58.55 -32.31 68.77 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.042 -1.036 . . . . 0.0 112.539 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -72.4 -17.0 61.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.208 1.003 . . . . 0.0 113.553 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.69 -46.64 68.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.286 0.948 . . . . 0.0 110.088 167.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.2 mtm -78.27 -39.97 38.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.301 0.64 . . . . 0.0 111.341 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 126.667 1.987 . . . . 0.0 110.7 169.404 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.537 0.471 0 CA-C-O 121.427 0.632 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 113' ' ' THR . 1.4 m -133.88 163.99 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 127.319 2.247 . . . . 0.0 113.147 177.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.3 87.25 3.91 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 125.128 1.371 . . . . 0.0 112.225 173.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -66.11 148.13 84.89 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.719 2.28 . . . . 0.0 112.637 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -50.69 150.22 5.24 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 124.788 1.235 . . . . 0.0 113.149 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -56.16 -34.96 94.55 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.08 2.52 . . . . 0.0 113.638 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.11 -35.99 80.38 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.739 1.216 . . . . 0.0 112.557 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 tp -79.39 -41.1 28.5 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.877 0.871 . . . . 0.0 111.78 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.8 tp -55.93 -39.95 72.41 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.806 0.842 . . . . 0.0 111.807 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -55.85 -43.98 77.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.333 1.053 . . . . 0.0 112.604 169.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.22 -43.77 81.19 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.074 0.95 . . . . 0.0 111.866 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.71 -42.49 97.34 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.706 0.802 . . . . 0.0 110.616 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -72.24 -22.63 61.21 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.786 -1.196 . . . . 0.0 114.18 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -64.73 -22.93 67.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.653 0.781 . . . . 0.0 112.828 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.9 m -105.67 13.05 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.738 1.615 . . . . 0.0 113.35 168.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.74 29.88 30.99 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.967 1.27 . . . . 0.0 115.851 169.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.92 134.52 49.67 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 119.12 1.46 . . . . 0.0 111.434 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.59 -41.38 14.33 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -168.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -77.79 175.63 9.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.067 1.347 . . . . 0.0 114.228 -169.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -109.52 -23.79 11.32 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.142 1.777 . . . . 0.0 114.82 167.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 147.43 39.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.695 1.998 . . . . 0.0 106.326 169.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -140.15 151.36 45.22 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -75.49 155.42 36.2 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 165.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.49 -38.02 76.77 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.864 -1.147 . . . . 0.0 112.307 173.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -67.69 -37.21 81.98 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.72 -46.01 90.09 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.871 1.214 . . . . 0.0 112.805 172.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.0 -51.03 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 122.947 0.499 . . . . 0.0 110.263 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.4 mt -58.51 -43.81 89.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.187 0.595 . . . . 0.0 112.087 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -54.58 -56.63 16.93 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -63.03 -39.99 96.4 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.42 -41.48 98.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.941 0.896 . . . . 0.0 111.57 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.72 -42.93 99.82 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.843 0.735 . . . . 0.0 112.55 172.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.09 -34.08 74.37 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.623 1.212 . . . . 0.0 113.316 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -68.73 -49.24 60.38 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.882 0.765 . . . . 0.0 111.98 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.4 mt -57.84 -42.23 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.413 1.085 . . . . 0.0 110.952 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 33.2 ttm -59.99 -56.21 24.51 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.83 1.652 . . . . 0.0 111.868 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.23 -35.32 80.12 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -76.8 -12.18 59.94 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.382 1.473 . . . . 0.0 114.374 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 54.53 43.06 30.87 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.058 1.743 . . . . 0.0 113.68 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.9 mt -76.77 -13.19 60.04 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -66.72 147.35 53.37 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -65.45 130.99 45.27 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.446 -0.784 . . . . 0.0 112.548 169.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -59.99 -30.76 69.34 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.282 -0.886 . . . . 0.0 112.748 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -83.15 -64.64 1.13 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.397 1.079 . . . . 0.0 111.375 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -88.2 84.45 6.89 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.045 0.938 . . . . 0.0 110.474 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -60.02 -21.43 61.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.736 1.215 . . . . 0.0 113.203 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -87.37 5.36 39.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.806 1.643 . . . . 0.0 114.39 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.2 mt -121.77 127.11 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.249 1.386 . . . . 0.0 110.398 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.28 137.68 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.854 1.661 . . . . 0.0 110.204 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -123.2 125.84 45.85 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.492 1.917 . . . . 0.0 113.108 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 33.5 t -159.61 108.99 1.84 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.773 0.829 . . . . 0.0 109.637 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.8 p -120.2 148.4 43.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.197 1.399 . . . . 0.0 111.896 170.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 55.43 25.5 7.78 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.002 1.721 . . . . 0.0 115.231 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -142.65 167.12 22.84 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.758 1.623 . . . . 0.0 110.368 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.1 tp -50.1 -45.42 52.72 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.276 1.83 . . . . 0.0 115.686 -167.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.85 -32.39 69.39 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.351 -0.843 . . . . 0.0 113.077 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.67 -39.48 77.72 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.97 0.795 . . . . 0.0 112.348 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.67 -32.61 74.14 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.8 mt -69.2 -60.59 2.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.981 1.312 . . . . 0.0 111.902 169.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.289 41.3 m-85 -67.17 -23.18 65.74 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 118.011 2.597 . . . . 0.0 118.011 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.51 16.4 77.54 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 123.973 0.797 . . . . 0.0 114.38 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.71 151.25 65.63 Favored Pre-proline 0 N--CA 1.476 0.873 0 C-N-CA 126.16 1.784 . . . . 0.0 109.112 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.13 -22.86 25.41 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.567 2.845 . . . . 0.0 113.145 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.6 p -162.07 160.84 27.92 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.395 1.478 . . . . 0.0 112.042 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.61 153.26 31.1 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.595 0.758 . . . . 0.0 110.598 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -84.9 128.11 34.47 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.104 0.962 . . . . 0.0 111.765 170.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.19 -24.99 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.213 1.405 . . . . 0.0 112.607 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -69.27 -22.43 63.82 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.234 1.014 . . . . 0.0 113.116 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -80.61 64.11 5.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 124.251 1.976 . . . . 0.0 112.635 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -56.98 -45.42 82.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 112.128 -2.305 . . . . 0.0 111.372 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -54.38 -43.53 71.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.803 1.641 . . . . 0.0 113.516 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -70.39 -44.35 68.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.954 0.901 . . . . 0.0 110.849 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.55 -44.96 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.819 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -57.49 -45.61 84.68 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.268 1.5 t -67.13 -37.35 83.68 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 174.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.5 mtm -65.28 -42.93 92.66 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.172 -0.955 . . . . 0.0 112.319 172.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.55 -38.79 90.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.882 0.873 . . . . 0.0 112.165 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.5 -31.77 73.03 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.276 0.63 . . . . 0.0 112.531 173.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.7 t -69.57 -35.08 75.05 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.428 -0.795 . . . . 0.0 112.417 171.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 59.7 mtt -64.32 -28.4 69.68 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.6 -1.312 . . . . 0.0 114.272 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.429 HG21 HG21 ' A' ' 34' ' ' VAL 0.296 2.9 p . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 174.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 21.5 t80 . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -65.26 -31.79 73.12 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -173.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.9 -35.38 74.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.39 0.676 . . . . 0.0 112.461 175.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -74.42 -42.88 58.43 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -65.7 -30.97 71.73 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.137 0.975 . . . . 0.0 112.21 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.78 -31.34 70.7 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.978 -1.076 . . . . 0.0 112.879 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -65.03 -26.85 68.44 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.506 1.123 . . . . 0.0 113.109 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.6 -52.16 48.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.454 0.702 . . . . 0.0 111.879 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.0 ptp -69.77 -25.07 63.63 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.54 0.609 . . . . 0.0 112.004 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 CA--C 1.549 0.94 0 C-N-CA 125.702 1.601 . . . . 0.0 113.958 169.027 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -128.8 162.7 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 128.491 2.716 . . . . 0.0 112.466 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.7 mtm105 -109.05 89.04 6.19 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 124.579 1.152 . . . . 0.0 111.986 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -66.79 150.52 83.35 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.191 1.928 . . . . 0.0 112.632 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -65.04 153.72 88.33 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.318 1.047 . . . . 0.0 112.49 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -55.92 -34.09 90.81 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.157 2.571 . . . . 0.0 114.859 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 tp -65.91 -37.59 86.48 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.805 0.842 . . . . 0.0 112.501 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.418 HD22 ' HB3' ' A' ' 112' ' ' MET . 44.6 tp -72.46 -45.48 59.33 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.193 0.997 . . . . 0.0 110.661 172.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.5 tp -53.13 -43.21 66.77 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.333 0.653 . . . . 0.0 111.961 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -61.4 -40.14 93.28 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.666 0.787 . . . . 0.0 112.874 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 tt -64.88 -40.3 94.89 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.146 0.978 . . . . 0.0 111.812 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.4 mt -66.75 -43.24 84.63 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.854 0.861 . . . . 0.0 110.891 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -64.6 -22.01 66.86 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 173.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -64.65 -18.53 65.02 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.084 0.856 . . . . 0.0 113.138 171.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.8 m -113.19 16.86 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 126.037 1.735 . . . . 0.0 113.065 168.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.16 31.3 43.06 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.668 1.128 . . . . 0.0 115.61 170.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.36 76.87 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 118.924 1.362 . . . . 0.0 113.507 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 57.47 -21.8 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 169.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -66.78 159.62 27.61 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 121.193 1.815 . . . . 0.0 112.258 175.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -91.01 -6.08 54.47 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 169.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.23 148.35 28.79 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.629 1.972 . . . . 0.0 106.657 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -148.47 154.54 39.99 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -174.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -74.5 156.97 36.32 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.37 -0.831 . . . . 0.0 112.733 165.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mmt -57.23 -36.31 70.75 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.526 -1.359 . . . . 0.0 113.167 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -67.09 -39.47 86.79 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.513 172.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.39 -46.64 89.32 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.799 1.181 . . . . 0.0 112.903 172.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -60.05 -49.92 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.316 0.507 . . . . 0.0 110.356 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.18 -44.8 92.18 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.61 0.641 . . . . 0.0 112.147 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -55.52 -54.06 48.64 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -66.02 -38.3 88.06 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.53 -41.27 98.49 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.25 -0.906 . . . . 0.0 111.631 172.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.72 99.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 121.572 -0.705 . . . . 0.0 112.271 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -61.34 -35.65 78.0 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.319 1.06 . . . . 0.0 113.256 170.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -68.27 -49.14 62.55 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.808 0.731 . . . . 0.0 111.006 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.13 -40.94 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 111.287 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.1 ttm -62.24 -52.49 63.52 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.013 1.325 . . . . 0.0 112.253 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -69.42 -38.61 77.97 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -72.7 -14.84 61.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.254 1.422 . . . . 0.0 113.493 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 56.63 42.94 26.34 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.04 2.136 . . . . 0.0 113.033 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.3 mt -77.42 -9.19 58.72 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.699 1.2 . . . . 0.0 114.006 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -63.15 148.6 47.53 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 172.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.55 132.51 50.07 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 171.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -64.69 -27.78 69.15 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -80.79 -47.19 14.24 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.982 0.913 . . . . 0.0 110.905 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -130.44 100.32 5.31 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.97 1.308 . . . . 0.0 112.362 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.85 -13.89 62.51 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -176.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -75.18 -2.7 29.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.103 0.961 . . . . 0.0 113.481 171.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.6 mt -113.32 134.29 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.727 1.611 . . . . 0.0 109.796 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -109.95 133.64 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.741 1.616 . . . . 0.0 112.541 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.289 52.2 m-85 -106.81 69.7 0.78 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.83 2.052 . . . . 0.0 115.645 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.5 p -69.94 -3.35 15.63 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.0 t -46.97 131.59 12.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.926 1.69 . . . . 0.0 114.252 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 59.8 -0.02 0.23 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -86.37 170.5 11.96 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.114 1.366 . . . . 0.0 111.475 172.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.7 tp -51.42 -44.49 62.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.402 1.081 . . . . 0.0 111.282 169.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.02 -32.99 73.53 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.14 -31.16 75.81 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 123.808 0.718 . . . . 0.0 113.45 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -73.37 -29.13 62.43 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 171.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.82 -55.96 5.56 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.855 0.862 . . . . 0.0 112.206 171.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.304 26.4 m-85 -68.79 -26.55 65.25 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 117.591 2.441 . . . . 0.0 117.591 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.73 18.55 78.81 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.181 0.896 . . . . 0.0 114.693 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 m -141.53 155.27 67.14 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 125.896 1.678 . . . . 0.0 109.78 -176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.83 -28.29 16.86 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.063 2.509 . . . . 0.0 113.207 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.5 p -163.11 161.86 25.4 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.767 1.227 . . . . 0.0 112.558 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -156.43 160.0 39.2 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.509 1.124 . . . . 0.0 109.388 173.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -95.24 131.11 41.65 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.813 0.845 . . . . 0.0 111.171 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.61 -23.47 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.404 1.081 . . . . 0.0 112.603 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -63.94 -21.81 66.64 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.407 1.483 . . . . 0.0 113.753 172.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -78.38 49.35 0.84 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.109 1.764 . . . . 0.0 111.762 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -52.31 -45.09 65.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.545 1.138 . . . . 0.0 113.347 -169.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.5 ttp-105 -59.88 -42.1 93.02 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.106 0.963 . . . . 0.0 112.818 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -68.55 -44.53 74.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.87 0.868 . . . . 0.0 110.944 174.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.53 -45.12 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.733 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -58.21 -43.53 87.71 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.301 1.0 OUTLIER -68.46 -34.24 75.6 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 173.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.9 mtm -68.44 -37.28 80.11 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.111 -0.993 . . . . 0.0 112.687 170.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 98.2 mmm -66.89 -39.78 87.57 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.412 1.085 . . . . 0.0 111.772 173.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.02 -34.91 75.58 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.645 -0.659 . . . . 0.0 111.909 171.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.9 m -68.95 -0.29 5.42 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 171.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.418 ' HB3' HD22 ' A' ' 40' ' ' LEU . 35.4 mtt -102.66 -2.68 27.86 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.981 1.312 . . . . 0.0 113.399 169.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.253 1.1 p . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -66.26 -25.41 66.86 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -64.75 -42.75 94.94 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.209 -0.932 . . . . 0.0 111.208 172.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -66.77 -33.61 76.0 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -75.35 -37.77 60.49 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.985 -0.447 . . . . 0.0 111.502 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 28.2 tp -60.63 -31.29 70.49 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.615 -1.303 . . . . 0.0 112.284 174.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -66.05 -25.16 66.91 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.245 1.418 . . . . 0.0 113.952 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.5 mt -63.22 -55.77 22.2 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.678 0.672 . . . . 0.0 110.869 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.46 -29.34 64.74 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 . . . . . 0 CA--C 1.545 0.752 0 C-N-CA 124.02 0.928 . . . . 0.0 112.063 173.842 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.542 0.648 0 CA-C-O 120.865 0.364 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.92 -24.08 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -173.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 47.29 72.36 1.29 Allowed Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 127.242 2.217 . . . . 0.0 112.506 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.94 167.12 26.89 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.068 2.512 . . . . 0.0 113.301 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -55.26 148.23 32.35 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.119 0.967 . . . . 0.0 112.246 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -60.45 -30.51 90.98 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.857 2.372 . . . . 0.0 112.745 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.71 -40.94 94.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.49 1.116 . . . . 0.0 112.438 174.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -75.71 -44.93 39.56 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.43 0.692 . . . . 0.0 111.526 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD11 ' HE3' ' A' ' 45' ' ' LYS . 45.5 tp -55.67 -39.55 71.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.597 0.759 . . . . 0.0 112.154 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.1 -39.86 83.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.118 0.967 . . . . 0.0 112.91 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.26 -45.6 92.58 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.624 0.77 . . . . 0.0 111.159 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.09 -43.86 91.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.707 0.685 . . . . 0.0 111.032 174.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.457 ' HE3' HD11 ' A' ' 41' ' ' LEU . 82.4 mttt -65.92 -26.53 67.64 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 176.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -65.23 -25.9 67.89 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.307 0.958 . . . . 0.0 112.307 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 m -101.15 16.58 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.429 1.492 . . . . 0.0 112.94 169.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.82 30.64 25.87 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 116.591 1.396 . . . . 0.0 116.591 168.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.23 126.2 28.98 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 119.557 1.679 . . . . 0.0 110.645 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -81.29 -39.95 24.44 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -168.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -78.63 172.82 13.14 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.606 1.962 . . . . 0.0 113.179 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -103.64 -2.56 26.41 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -143.56 146.67 33.5 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.924 1.69 . . . . 0.0 107.286 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -144.39 154.77 43.33 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.455 1.502 . . . . 0.0 114.228 -171.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.34 166.19 23.79 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 168.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mmt -54.66 -46.11 73.96 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.312 -0.867 . . . . 0.0 112.666 172.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.59 -39.41 88.4 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.926 0.891 . . . . 0.0 112.031 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.05 -43.83 91.03 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.61 -48.57 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.544 0.738 . . . . 0.0 109.443 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.8 -44.95 86.67 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.741 0.701 . . . . 0.0 111.248 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.26 31.1 t80 -53.57 -60.55 3.16 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 173.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -60.23 -41.51 93.27 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.91 -45.77 90.94 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.417 1.087 . . . . 0.0 111.526 176.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.19 -42.5 96.36 Favored Glycine 0 CA--C 1.527 0.798 0 O-C-N 121.742 -0.599 . . . . 0.0 113.393 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -61.58 -35.32 77.48 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.364 1.082 . . . . 0.0 112.061 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -62.82 -53.28 56.71 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 169.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.8 mt -59.74 -39.7 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.904 0.882 . . . . 0.0 111.142 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.3 ttm -62.48 -56.01 22.19 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.723 1.209 . . . . 0.0 111.632 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . 0.256 1.3 t -67.77 -36.67 80.92 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -72.96 -9.21 58.48 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.678 1.191 . . . . 0.0 113.669 170.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 56.08 42.8 27.94 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.518 1.927 . . . . 0.0 113.051 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.85 -7.8 57.17 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.936 1.294 . . . . 0.0 113.953 -173.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -69.9 152.42 44.52 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 172.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -62.01 133.63 55.59 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.332 -0.855 . . . . 0.0 113.09 169.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -57.84 -30.68 65.97 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.048 0.939 . . . . 0.0 112.417 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -88.29 -61.9 1.61 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.357 1.463 . . . . 0.0 110.447 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -87.42 79.47 8.41 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.969 1.308 . . . . 0.0 110.367 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -73.91 34.12 0.09 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.384 1.474 . . . . 0.0 113.44 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -143.27 5.69 1.47 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 128.066 2.546 . . . . 0.0 112.116 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.0 mt -121.04 127.8 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.221 1.408 . . . . 0.0 109.441 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -96.69 139.08 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.243 1.817 . . . . 0.0 112.998 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -128.9 125.56 37.85 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.154 1.782 . . . . 0.0 113.453 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -159.21 101.68 1.58 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.218 1.007 . . . . 0.0 110.426 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.6 p -105.24 142.22 35.4 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.912 1.285 . . . . 0.0 111.677 171.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.47 9.53 0.79 Allowed 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.26 31.7 m-20 -120.75 170.23 9.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.229 2.212 . . . . 0.0 115.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.2 tp -52.66 -41.32 63.71 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -168.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.8 tp -68.83 -38.12 79.62 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.417 1.008 . . . . 0.0 112.601 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.24 -37.77 86.92 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 123.629 0.633 . . . . 0.0 112.491 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.06 -32.31 73.81 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 172.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.7 mt -71.35 -62.12 1.52 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.991 1.316 . . . . 0.0 112.077 171.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.284 55.7 m-85 -68.81 -19.04 64.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.89 16.7 80.49 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.41 1.005 . . . . 0.0 114.395 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.18 151.58 55.73 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 125.984 1.714 . . . . 0.0 109.567 -177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.53 -21.41 25.9 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.651 2.901 . . . . 0.0 113.212 175.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -161.02 158.15 27.42 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.246 1.418 . . . . 0.0 112.177 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -156.32 155.5 32.37 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.102 0.961 . . . . 0.0 109.696 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.1 t -97.48 133.64 41.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.846 0.858 . . . . 0.0 112.921 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . 0.26 1.3 t -77.07 -2.4 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.325 1.45 . . . . 0.0 114.439 170.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.43 -31.97 73.35 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.604 1.161 . . . . 0.0 112.405 170.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -111.39 81.35 1.43 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.879 1.272 . . . . 0.0 111.934 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -53.35 -37.12 62.06 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.268 1.027 . . . . 0.0 113.003 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -56.6 -39.24 73.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.679 1.591 . . . . 0.0 113.25 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -67.95 -44.49 76.64 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.911 0.885 . . . . 0.0 111.565 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.77 -46.6 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 118.46 -0.781 . . . . 0.0 111.127 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -57.64 -44.77 85.85 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.661 1.119 . . . . 0.0 112.909 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.275 1.1 t -66.22 -40.1 90.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 177.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 76.0 mtm -68.08 -40.18 82.75 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.581 -0.699 . . . . 0.0 112.508 173.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -76.64 -28.58 56.1 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.76 0.824 . . . . 0.0 111.862 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.0 -29.14 70.04 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.225 -0.922 . . . . 0.0 112.815 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.7 t -62.22 -24.92 67.51 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.21 -0.931 . . . . 0.0 112.32 173.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 36.9 mtt -79.17 -1.12 34.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.944 1.298 . . . . 0.0 113.446 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.345 0.9 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -176.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -65.32 -32.02 73.45 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.464 0.705 . . . . 0.0 112.864 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.51 -40.49 87.28 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.422 1.01 . . . . 0.0 112.952 171.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -66.54 -41.94 87.93 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 168.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -70.58 -32.14 69.42 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.729 0.812 . . . . 0.0 112.094 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 21.3 tp -65.31 -31.58 72.79 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.715 -1.241 . . . . 0.0 112.476 176.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -63.3 -31.04 72.09 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.186 0.994 . . . . 0.0 112.313 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.98 -58.45 8.61 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.231 0.612 . . . . 0.0 111.163 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.7 ptp -70.53 -29.36 65.81 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 . . . . . 0 CA--C 1.542 0.65 0 C-N-CA 123.966 0.906 . . . . 0.0 112.593 178.268 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 121.852 0.834 . . . . 0.0 113.058 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -126.11 161.69 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 127.999 2.52 . . . . 0.0 111.385 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -104.64 92.99 5.49 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 123.766 0.826 . . . . 0.0 110.689 171.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -65.41 155.88 66.34 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.215 1.943 . . . . 0.0 112.011 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -54.88 150.56 18.56 Favored Pre-proline 0 N--CA 1.478 0.93 0 C-N-CA 123.996 0.918 . . . . 0.0 112.047 171.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -59.5 -32.54 96.44 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.606 2.204 . . . . 0.0 112.832 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.2 tp -62.24 -40.64 96.83 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.492 1.117 . . . . 0.0 112.417 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.2 tp -73.97 -45.83 47.65 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.905 0.882 . . . . 0.0 111.435 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.4 HD11 ' HE3' ' A' ' 45' ' ' LYS . 40.7 tp -55.92 -39.66 71.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.214 1.006 . . . . 0.0 112.087 177.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -60.34 -37.9 82.11 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.996 0.918 . . . . 0.0 112.931 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.85 -45.59 93.13 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 0.0 111.108 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.28 -41.42 96.91 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.544 0.611 . . . . 0.0 111.266 175.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HE3' HD11 ' A' ' 41' ' ' LEU . 71.6 mttt -65.78 -27.05 68.0 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 175.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 p -65.13 -25.04 67.59 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.357 0.98 . . . . 0.0 112.48 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.8 m -102.24 14.83 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.728 1.611 . . . . 0.0 113.039 169.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.54 28.15 25.26 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 116.865 1.506 . . . . 0.0 116.865 168.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.67 121.79 19.46 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 119.758 1.779 . . . . 0.0 110.233 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -79.63 -37.84 35.13 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 -167.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -91.12 -177.04 4.79 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.579 1.952 . . . . 0.0 113.87 -174.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.8 p30 -115.8 2.2 13.57 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.686 1.994 . . . . 0.0 115.444 -174.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.46 141.18 24.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 -174.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -147.82 151.64 36.32 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -73.59 158.41 34.86 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.614 1.097 . . . . 0.0 113.208 167.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.3 mmt -56.47 -38.24 71.43 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.83 -1.169 . . . . 0.0 113.065 173.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -66.48 -38.99 88.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.328 0.651 . . . . 0.0 112.592 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.22 -45.48 88.07 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.333 0.97 . . . . 0.0 112.739 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.29 -48.35 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.422 0.689 . . . . 0.0 110.592 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.67 -45.8 88.6 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.421 0.688 . . . . 0.0 111.553 174.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -52.37 -56.6 13.84 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -60.22 -40.08 88.92 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.05 -43.59 87.04 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.014 0.925 . . . . 0.0 112.343 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.23 98.93 Favored Glycine 0 CA--C 1.532 1.121 0 O-C-N 121.222 -0.924 . . . . 0.0 112.634 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -62.77 -34.79 77.97 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.955 -0.733 . . . . 0.0 112.461 172.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.46 -50.17 70.77 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 172.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.7 mt -58.81 -40.53 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.432 1.093 . . . . 0.0 111.337 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.5 mtm -64.57 -51.89 60.47 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -65.65 -34.83 79.13 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -77.53 -15.34 59.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.842 1.657 . . . . 0.0 114.507 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 54.64 43.85 29.53 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 126.225 1.81 . . . . 0.0 113.726 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.0 mt -74.87 -13.69 60.58 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.293 2.0 p90 -66.56 153.13 43.81 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.18 130.0 43.39 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.155 0.582 . . . . 0.0 112.518 168.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -59.16 -30.52 68.23 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.144 -0.973 . . . . 0.0 112.682 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -85.99 -45.9 11.03 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.971 1.309 . . . . 0.0 111.54 -175.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -120.96 89.5 3.14 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.472 1.509 . . . . 0.0 111.006 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -69.84 -9.93 56.58 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -172.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -78.71 -5.11 52.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.184 0.994 . . . . 0.0 113.399 169.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.7 mt -107.03 130.02 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.771 1.628 . . . . 0.0 110.224 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.1 t -102.03 128.92 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.068 1.747 . . . . 0.0 112.561 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.277 56.4 m-85 -104.88 68.74 0.84 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.739 2.016 . . . . 0.0 114.731 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.0 p -71.93 2.1 6.13 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -174.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 81.9 p -53.32 145.92 13.19 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.994 1.318 . . . . 0.0 113.815 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 58.47 16.01 3.91 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.197 1.799 . . . . 0.0 115.568 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -120.49 165.0 15.57 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.549 1.539 . . . . 0.0 112.861 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.1 tp -48.95 -38.11 22.06 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.226 1.41 . . . . 0.0 112.361 169.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.9 tp -70.56 -34.29 72.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.5 -37.46 94.47 Favored Glycine 0 CA--C 1.533 1.197 0 O-C-N 121.435 -0.791 . . . . 0.0 112.34 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.94 -29.99 70.49 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.39 -59.11 2.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.88 1.272 . . . . 0.0 112.114 171.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.263 27.0 m-85 -68.04 -23.89 65.03 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 117.754 2.502 . . . . 0.0 117.754 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.72 19.19 79.71 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 123.997 0.808 . . . . 0.0 114.54 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.6 m -139.79 155.22 71.36 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 126.187 1.795 . . . . 0.0 109.522 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.35 -25.92 17.87 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.283 2.655 . . . . 0.0 113.276 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.6 p -161.82 160.2 27.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.641 1.176 . . . . 0.0 113.0 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -158.06 162.88 38.12 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.46 1.504 . . . . 0.0 107.427 173.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.0 t -104.89 134.8 47.4 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.139 -0.976 . . . . 0.0 111.877 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.6 t -60.03 -26.01 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.736 0.814 . . . . 0.0 112.767 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -64.15 -20.43 65.99 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.424 1.89 . . . . 0.0 113.333 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -78.8 50.21 0.98 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.093 1.757 . . . . 0.0 112.066 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -51.92 -46.36 64.62 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.762 1.225 . . . . 0.0 114.24 -169.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -39.79 93.97 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.64 1.176 . . . . 0.0 112.933 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -67.59 -45.7 74.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.532 1.533 . . . . 0.0 111.376 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.26 -44.58 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 118.946 -0.549 . . . . 0.0 111.107 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -56.17 -47.89 77.39 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.279 1.2 t -67.05 -36.23 81.59 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 61.1 mtm -66.33 -42.69 87.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.46 -0.775 . . . . 0.0 112.353 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.2 mmm -63.48 -39.65 95.01 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.925 0.89 . . . . 0.0 111.992 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.78 80.79 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.447 0.699 . . . . 0.0 112.772 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.0 p -65.78 -18.78 65.57 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 39.2 mtt -85.99 -4.45 59.17 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.544 1.138 . . . . 0.0 113.703 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.324 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 116.728 2.122 . . . . 0.0 116.728 -177.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 25.5 t80 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 116.118 1.895 . . . . 0.0 116.118 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -68.94 -26.71 65.2 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -61.92 -49.06 77.68 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.198 0.908 . . . . 0.0 111.466 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -59.53 -41.11 89.28 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 169.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -67.03 -39.34 86.99 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.015 0.526 . . . . 0.0 111.13 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.5 -29.19 66.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.816 -1.178 . . . . 0.0 112.861 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 31.3 mmt-85 -68.74 -26.12 65.09 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.875 0.761 . . . . 0.0 113.026 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.66 -47.67 65.94 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.629 0.65 . . . . 0.0 110.219 168.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.9 mtm -74.82 -27.58 60.35 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.372 0.669 . . . . 0.0 112.481 -170.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 . . . . . 0 CA--C 1.545 0.783 0 C-N-CA 124.612 1.165 . . . . 0.0 112.216 169.834 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.87 -20.99 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -171.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 48.73 82.21 0.24 Allowed Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 127.768 2.427 . . . . 0.0 113.125 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -65.56 161.04 40.2 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.435 2.09 . . . . 0.0 112.693 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -56.84 148.62 47.48 Favored Pre-proline 0 N--CA 1.479 0.994 0 C-N-CA 123.899 0.879 . . . . 0.0 112.289 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -55.88 -34.22 90.94 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.15 2.567 . . . . 0.0 114.477 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.32 -39.71 94.45 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.802 0.841 . . . . 0.0 112.351 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.0 tp -72.27 -44.25 63.07 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.619 0.767 . . . . 0.0 111.12 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.3 tp -53.91 -42.05 68.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.225 0.61 . . . . 0.0 111.549 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -62.3 -34.59 76.87 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.47 -38.3 89.28 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.681 -0.637 . . . . 0.0 111.023 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.64 -40.99 88.95 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.58 -0.7 . . . . 0.0 111.516 169.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -59.34 -32.35 70.01 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.435 -1.415 . . . . 0.0 112.887 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.1 m -64.87 -15.16 61.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.656 1.183 . . . . 0.0 113.638 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -117.87 21.92 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.258 1.823 . . . . 0.0 112.496 170.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.2 22.82 58.33 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 116.673 1.429 . . . . 0.0 116.673 169.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.68 120.53 10.8 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.03 1.415 . . . . 0.0 112.375 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -80.67 -47.4 14.1 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -169.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -72.2 171.99 11.04 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.844 1.658 . . . . 0.0 112.684 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -111.38 3.87 18.54 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.549 1.94 . . . . 0.0 115.591 169.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -143.19 141.88 31.27 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.748 2.019 . . . . 0.0 106.772 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -148.72 159.3 44.26 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -169.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -78.54 162.03 26.61 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 165.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.2 mmm -54.18 -42.04 69.22 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.742 -1.224 . . . . 0.0 112.747 172.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -68.26 -37.34 80.65 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.422 0.689 . . . . 0.0 112.441 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -65.48 -43.13 91.2 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.878 0.763 . . . . 0.0 113.015 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.16 -49.02 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.066 0.546 . . . . 0.0 110.577 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.49 -42.55 82.93 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.693 174.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -53.56 -57.95 8.91 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -59.63 -40.8 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.54 -44.01 95.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.347 1.059 . . . . 0.0 111.845 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.79 98.49 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.752 0.691 . . . . 0.0 112.67 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -63.33 -30.74 71.82 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.039 0.92 . . . . 0.0 112.76 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -69.33 -48.79 60.42 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.412 -0.805 . . . . 0.0 112.79 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.86 -42.26 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.841 1.256 . . . . 0.0 110.85 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 50.2 ttm -63.3 -56.32 17.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.368 1.467 . . . . 0.0 112.274 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -64.55 -34.12 77.5 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.17 1.545 . . . . 0.0 115.17 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -78.77 -10.48 59.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.689 1.595 . . . . 0.0 113.89 172.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 51.93 45.31 28.47 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 127.635 2.374 . . . . 0.0 113.558 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.2 mt -77.53 -7.63 56.57 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -63.76 146.5 53.78 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 170.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.88 134.02 52.16 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.63 -27.68 67.88 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -79.21 -46.72 17.31 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.647 0.779 . . . . 0.0 110.812 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -131.82 102.34 5.82 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.954 1.302 . . . . 0.0 112.58 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -66.83 -13.9 62.08 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -74.46 -0.14 16.5 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 170.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.0 mt -120.04 140.49 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.178 1.791 . . . . 0.0 109.66 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.4 t -119.56 139.78 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.088 1.755 . . . . 0.0 110.39 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -124.45 128.3 48.8 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.936 2.094 . . . . 0.0 114.267 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.1 t -160.38 108.92 1.67 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.083 0.953 . . . . 0.0 109.832 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 76.8 p -118.56 147.06 44.09 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.532 1.533 . . . . 0.0 111.95 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.267 0.8 OUTLIER 48.4 32.38 3.25 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 127.062 2.145 . . . . 0.0 115.72 -178.238 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -144.37 167.8 21.6 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.618 1.567 . . . . 0.0 109.65 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.4 tp -49.22 -51.91 30.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.101 1.76 . . . . 0.0 115.201 -167.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.78 -35.82 81.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.311 0.96 . . . . 0.0 113.134 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.77 -34.57 83.35 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.955 0.788 . . . . 0.0 112.779 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.13 -34.02 76.69 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 172.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.94 -57.86 5.51 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.663 0.785 . . . . 0.0 111.556 169.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.302 42.7 m-85 -67.44 -23.37 65.51 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 118.081 2.623 . . . . 0.0 118.081 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.13 16.74 76.94 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.063 0.839 . . . . 0.0 114.409 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.79 151.68 63.63 Favored Pre-proline 0 N--CA 1.475 0.803 0 C-N-CA 126.115 1.766 . . . . 0.0 109.413 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -71.13 -21.85 26.71 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.642 2.895 . . . . 0.0 113.235 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -162.4 160.38 26.38 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.282 1.433 . . . . 0.0 112.34 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -154.55 158.16 39.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.885 0.874 . . . . 0.0 110.723 172.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.0 t -91.94 125.18 36.54 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.03 0.932 . . . . 0.0 111.625 171.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.29 -30.24 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.352 1.461 . . . . 0.0 112.632 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.31 -25.71 67.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.624 1.97 . . . . 0.0 113.305 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.65 62.1 3.83 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.15 1.38 . . . . 0.0 111.534 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -55.47 -43.98 76.01 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -169.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -60.9 -39.58 89.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.818 0.847 . . . . 0.0 113.132 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -67.49 -40.1 85.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.26 1.024 . . . . 0.0 111.405 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.23 -46.04 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.143 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -56.77 -43.45 80.85 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.278 1.2 t -66.95 -36.9 83.26 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.13 -39.64 90.02 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.247 -0.908 . . . . 0.0 112.456 171.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.3 mmm -67.34 -41.36 85.31 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.03 0.932 . . . . 0.0 111.915 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.19 -34.13 74.57 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.334 0.654 . . . . 0.0 111.904 173.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.7 m -67.79 -9.33 43.29 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.4 mtt -102.18 4.18 39.16 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.644 1.578 . . . . 0.0 113.74 172.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.363 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 21.4 t80 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -65.65 -32.54 74.17 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.32 -26.19 68.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.879 0.872 . . . . 0.0 112.474 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -83.54 -43.55 15.61 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 166.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -64.41 -32.99 74.84 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.258 1.023 . . . . 0.0 112.394 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 24.8 tp -56.86 -31.32 64.69 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.312 1.045 . . . . 0.0 112.691 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -72.63 -19.16 61.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.316 1.046 . . . . 0.0 112.186 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.54 -50.36 38.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.684 0.793 . . . . 0.0 111.766 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.7 ptp -70.9 -30.03 66.26 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.804 -0.56 . . . . 0.0 111.537 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 CA--C 1.549 0.942 0 C-N-CA 125.695 1.598 . . . . 0.0 112.79 169.218 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 121.423 0.63 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 m -132.95 163.66 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.57 2.348 . . . . 0.0 112.831 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -100.57 92.04 2.08 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 124.537 1.135 . . . . 0.0 111.085 169.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.98 153.35 76.41 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 121.87 1.713 . . . . 0.0 112.293 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 51.8 mtmt -59.03 151.56 55.51 Favored Pre-proline 0 N--CA 1.476 0.872 0 C-N-CA 124.285 1.034 . . . . 0.0 112.231 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.73 -35.26 93.01 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.029 2.486 . . . . 0.0 113.96 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.33 -38.77 90.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.431 1.092 . . . . 0.0 112.277 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 112' ' ' MET . 60.5 tp -74.93 -44.54 47.99 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.397 0.679 . . . . 0.0 111.402 174.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.6 tp -55.01 -38.87 68.44 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.805 0.842 . . . . 0.0 111.87 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -59.06 -40.57 85.56 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.995 0.918 . . . . 0.0 113.134 170.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -66.07 -45.19 82.19 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.066 0.947 . . . . 0.0 111.99 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.93 -43.14 91.11 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.393 0.677 . . . . 0.0 110.51 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -72.24 -24.34 61.36 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.776 1.23 . . . . 0.0 114.199 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.9 m -64.63 -23.3 67.22 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.706 0.803 . . . . 0.0 112.606 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 m -105.09 14.41 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.809 1.644 . . . . 0.0 113.418 168.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.61 28.13 36.63 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.169 1.366 . . . . 0.0 116.148 168.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 132.53 44.48 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.181 1.49 . . . . 0.0 111.202 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -88.27 -32.58 18.42 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -84.8 171.63 12.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.621 1.568 . . . . 0.0 114.377 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -108.47 4.83 24.67 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.499 1.919 . . . . 0.0 113.824 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.98 142.34 28.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.072 2.149 . . . . 0.0 106.378 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -144.03 152.56 41.17 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.25 1.0 OUTLIER -77.01 158.79 30.37 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 166.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.9 mmm -60.74 -34.11 73.94 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.883 -1.136 . . . . 0.0 112.493 174.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -67.99 -41.95 81.51 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.851 0.861 . . . . 0.0 111.917 172.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.88 -41.99 99.61 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.862 0.755 . . . . 0.0 112.778 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.405 HG13 HD21 ' A' ' 40' ' ' LEU . 55.0 t -61.94 -49.98 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.294 175.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.28 -45.21 88.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.394 0.997 . . . . 0.0 111.347 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -54.39 -56.89 14.09 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -64.76 -36.86 85.68 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 175.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.79 -42.91 97.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.238 1.015 . . . . 0.0 111.368 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.07 -43.31 98.96 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 123.752 0.691 . . . . 0.0 112.905 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.35 -33.86 73.02 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.7 1.25 . . . . 0.0 113.177 173.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -67.86 -49.49 61.81 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 173.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.56 -40.57 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.202 1.001 . . . . 0.0 111.08 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 31.8 ttm -61.81 -57.9 10.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.93 1.692 . . . . 0.0 111.986 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -63.41 -32.0 73.31 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -80.18 -15.7 56.48 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.834 1.654 . . . . 0.0 114.336 173.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 51.55 48.88 22.05 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.872 2.069 . . . . 0.0 113.484 -174.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.2 mt -75.44 -7.71 54.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -65.87 150.16 49.04 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.13 149.46 49.58 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -72.18 -38.76 69.03 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.844 -1.16 . . . . 0.0 112.62 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -87.56 -31.61 19.8 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.396 1.478 . . . . 0.0 114.466 -172.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -130.53 89.53 2.79 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.127 1.371 . . . . 0.0 108.89 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -70.61 -4.98 25.97 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -168.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -84.21 -8.41 59.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.844 1.258 . . . . 0.0 113.159 168.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.3 mt -96.53 138.94 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 120.138 1.335 . . . . 0.0 109.748 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 t -121.81 134.17 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.27 1.828 . . . . 0.0 112.453 -176.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -125.41 124.05 40.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.84 2.056 . . . . 0.0 114.3 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.0 t -156.67 48.69 0.46 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.652 0.739 . . . . 0.0 111.907 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.4 p -59.88 136.32 57.97 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.96 -1.088 . . . . 0.0 112.333 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 56.6 21.79 6.08 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.231 1.813 . . . . 0.0 115.835 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -132.96 167.66 19.87 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.975 1.31 . . . . 0.0 112.114 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.0 tp -47.62 -40.79 20.44 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -166.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.61 -40.83 84.68 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.807 1.185 . . . . 0.0 112.297 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.84 -33.86 66.08 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.391 0.52 . . . . 0.0 112.428 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.07 -34.37 77.89 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.9 mt -70.46 -57.42 4.81 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.725 1.21 . . . . 0.0 112.149 170.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.28 46.1 m-85 -68.21 -19.69 64.78 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 -178.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.9 16.87 80.37 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.404 1.002 . . . . 0.0 114.249 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 m -143.57 151.22 53.42 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.967 1.707 . . . . 0.0 109.485 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.1 -25.15 22.86 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.396 2.731 . . . . 0.0 113.189 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.4 p -158.17 159.78 36.51 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.207 1.403 . . . . 0.0 112.601 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -157.79 171.18 20.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.194 1.397 . . . . 0.0 107.749 174.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.6 t -118.04 132.16 56.39 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.365 -0.834 . . . . 0.0 112.257 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.9 t -58.13 -22.43 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.541 1.536 . . . . 0.0 113.339 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -60.89 -22.75 64.62 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.251 1.421 . . . . 0.0 113.026 171.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -84.37 -1.13 54.99 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -170.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 35.08 -85.66 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.432 2.693 . . . . 0.0 116.249 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.2 mtm-85 -47.37 -41.72 20.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.031 1.732 . . . . 0.0 114.183 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -64.28 -41.1 97.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.312 0.645 . . . . 0.0 111.014 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.02 -46.14 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.516 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -60.79 -43.31 98.26 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.805 1.184 . . . . 0.0 110.942 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.287 1.0 OUTLIER -68.41 -37.25 80.15 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 177.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.8 mtm -67.91 -45.13 75.28 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.409 -0.807 . . . . 0.0 112.105 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -72.09 -20.86 61.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.933 0.893 . . . . 0.0 112.246 -173.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.26 69.03 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.564 -0.71 . . . . 0.0 112.889 170.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.2 p -67.81 -15.93 63.86 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.932 -1.105 . . . . 0.0 113.181 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.637 ' HB3' HD22 ' A' ' 40' ' ' LEU . 47.1 mtt -80.06 -8.62 59.48 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.785 -1.197 . . . . 0.0 112.869 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -179.548 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 15.0 t80 . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -65.85 -26.29 67.59 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -65.12 -41.62 94.69 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.507 1.049 . . . . 0.0 111.119 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -63.81 -43.1 97.28 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 170.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -69.14 -42.18 76.34 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.354 0.662 . . . . 0.0 111.557 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.14 -34.19 68.16 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.848 1.259 . . . . 0.0 112.79 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.46 -37.84 82.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.83 1.252 . . . . 0.0 111.762 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.49 -46.27 86.91 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.942 1.297 . . . . 0.0 111.572 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.7 mtm -74.45 -34.85 63.29 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.525 0.73 . . . . 0.0 111.485 -172.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 124.969 1.308 . . . . 0.0 113.572 171.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt . . . . . 0 CA--C 1.543 0.707 0 CA-C-O 120.824 0.345 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.64 -20.68 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -174.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 51.7 70.33 2.0 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 127.018 2.127 . . . . 0.0 113.219 -169.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.479 ' CB ' HD23 ' A' ' 40' ' ' LEU . 36.4 Cg_endo -71.51 163.99 37.19 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.092 2.528 . . . . 0.0 113.926 -173.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -58.15 150.07 53.92 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 124.625 1.17 . . . . 0.0 112.524 176.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -61.46 -31.29 87.86 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.674 2.249 . . . . 0.0 112.62 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.67 -40.53 95.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.663 1.185 . . . . 0.0 112.47 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 112' ' ' MET . 57.3 tp -70.79 -48.31 54.9 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.879 0.872 . . . . 0.0 111.282 173.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.6 tp -53.89 -39.53 65.84 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.038 0.935 . . . . 0.0 112.135 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.89 -41.24 82.16 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.213 1.005 . . . . 0.0 112.99 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tt -65.09 -43.43 92.14 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.048 0.939 . . . . 0.0 111.707 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.62 -42.56 99.66 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.678 0.672 . . . . 0.0 111.291 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -73.84 -21.13 60.23 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.418 1.087 . . . . 0.0 113.832 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 m -65.0 -21.44 66.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.662 0.785 . . . . 0.0 112.445 168.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 m -108.04 19.35 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.689 1.596 . . . . 0.0 113.74 169.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.1 23.62 47.97 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 116.898 1.519 . . . . 0.0 116.898 168.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.55 133.91 56.26 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 119.106 1.453 . . . . 0.0 111.851 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -85.74 -52.21 5.93 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.236 -0.915 . . . . 0.0 113.379 -170.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.53 171.14 15.04 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.69 1.996 . . . . 0.0 112.849 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -99.43 -3.19 34.27 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -138.02 145.15 41.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.201 1.401 . . . . 0.0 108.415 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -147.39 161.58 40.73 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.926 1.69 . . . . 0.0 115.094 -172.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -83.87 166.03 18.25 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.269 1.428 . . . . 0.0 114.005 168.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.4 mmt -54.54 -43.13 71.68 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.497 1.044 . . . . 0.0 112.647 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -60.57 -48.33 82.23 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.644 1.178 . . . . 0.0 111.516 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.59 -40.02 84.82 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.47 HG11 HD21 ' A' ' 40' ' ' LEU . 97.8 t -62.59 -49.3 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.34 0.518 . . . . 0.0 110.042 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.28 -42.2 90.71 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.639 0.654 . . . . 0.0 110.993 176.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -53.99 -58.71 6.29 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -58.76 -39.43 80.97 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.1 tp -65.74 -44.54 85.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.48 1.112 . . . . 0.0 111.896 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.19 98.05 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 123.65 0.643 . . . . 0.0 112.772 174.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -63.36 -32.15 73.49 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.144 0.972 . . . . 0.0 112.513 172.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -65.81 -49.47 68.15 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 169.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.6 mt -60.39 -38.1 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.389 1.076 . . . . 0.0 111.272 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.0 ttm -62.86 -57.48 10.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.298 1.439 . . . . 0.0 111.958 173.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -67.38 -35.45 79.35 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -80.76 -10.24 59.74 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.836 1.254 . . . . 0.0 113.55 170.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 54.8 46.5 24.4 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.3 2.64 . . . . 0.0 113.045 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.1 mt -78.64 -6.29 55.29 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -74.43 151.76 39.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 174.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -67.03 129.8 41.07 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.693 -1.254 . . . . 0.0 112.322 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -61.35 -29.06 69.66 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.202 -0.936 . . . . 0.0 112.835 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -81.59 -68.08 0.72 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.603 1.161 . . . . 0.0 111.206 172.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -83.76 81.43 8.76 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.23 1.012 . . . . 0.0 110.951 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -58.6 -23.67 59.29 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.777 1.231 . . . . 0.0 112.848 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -84.2 5.93 24.58 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.678 1.591 . . . . 0.0 114.447 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.8 mt -126.12 130.98 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 120.075 1.307 . . . . 0.0 110.447 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 p -105.63 139.87 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.434 1.493 . . . . 0.0 111.501 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.322 70.7 m-85 -110.5 59.95 0.61 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.661 1.984 . . . . 0.0 116.136 -172.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.8 p -67.72 48.61 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.589 2.355 . . . . 0.0 115.688 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -85.47 124.21 31.8 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.562 -1.336 . . . . 0.0 111.92 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 54.8 26.37 7.62 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.134 1.774 . . . . 0.0 115.621 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -120.59 179.87 4.2 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.188 1.795 . . . . 0.0 113.574 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 63.9 tp -56.35 -40.82 75.12 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.524 -0.735 . . . . 0.0 111.872 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.1 tp -64.89 -37.33 87.27 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.46 -34.55 90.24 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.177 0.894 . . . . 0.0 113.09 170.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.41 -32.82 73.97 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 171.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.07 -57.82 4.16 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.807 0.843 . . . . 0.0 112.285 169.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.273 38.7 m-85 -75.67 -24.06 56.29 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 118.611 2.819 . . . . 0.0 118.611 -175.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.44 17.37 78.94 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 123.949 0.785 . . . . 0.0 114.887 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.45 152.15 68.38 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 125.825 1.65 . . . . 0.0 109.521 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.31 -18.77 17.81 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.908 3.072 . . . . 0.0 113.805 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.4 p -166.34 159.77 15.12 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.712 1.605 . . . . 0.0 111.556 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -155.65 152.64 28.91 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.598 0.713 . . . . 0.0 112.096 168.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 p -80.14 127.78 32.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.576 1.15 . . . . 0.0 112.052 169.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.433 ' HA ' HD11 ' A' ' 105' ' ' ILE . 63.3 t -72.26 -21.06 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.839 2.056 . . . . 0.0 112.561 -175.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.98 -34.54 71.94 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -84.74 94.44 8.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.654 0.782 . . . . 0.0 112.661 -172.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -50.98 -54.1 27.41 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.544 1.538 . . . . 0.0 113.103 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -56.97 -43.38 81.56 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.737 1.215 . . . . 0.0 112.66 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.57 -47.82 84.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.386 1.474 . . . . 0.0 111.86 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 99' ' ' VAL . 68.9 mt -74.36 -40.05 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 122.875 0.47 . . . . 0.0 111.162 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.68 -41.12 97.13 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.295 1.2 t -69.45 -34.65 74.7 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 173.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.24 -27.94 64.85 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.055 -1.028 . . . . 0.0 113.319 169.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.7 mmt -65.29 -32.22 73.77 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.383 0.992 . . . . 0.0 113.063 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.77 -30.67 70.95 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.572 -0.705 . . . . 0.0 112.765 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.5 t -71.24 -18.67 62.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.428 1.091 . . . . 0.0 113.121 172.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.602 ' HB3' HD22 ' A' ' 40' ' ' LEU . 43.5 mtt -88.64 -1.69 58.2 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.468 -1.395 . . . . 0.0 114.217 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.727 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -69.72 -34.56 74.04 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -168.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.6 -33.09 75.12 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.789 1.177 . . . . 0.0 112.258 175.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -69.93 -41.8 74.13 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 168.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -69.32 -36.91 77.44 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.349 0.66 . . . . 0.0 112.014 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.78 -32.43 71.75 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.72 -1.238 . . . . 0.0 112.464 175.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -68.29 -21.43 64.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.569 1.148 . . . . 0.0 112.887 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.26 -59.1 5.18 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.798 0.726 . . . . 0.0 110.719 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.1 ptp -69.64 -34.1 73.56 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.137 0.426 . . . . 0.0 111.771 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 . . . . . 0 CA--C 1.542 0.649 0 C-N-CA 124.354 1.062 . . . . 0.0 112.908 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 120.97 0.414 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.08 -24.91 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -170.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? 56.01 73.17 0.87 Allowed Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 126.863 2.065 . . . . 0.0 112.821 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.61 160.54 43.89 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.093 2.529 . . . . 0.0 112.653 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -57.53 148.85 53.58 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.59 1.156 . . . . 0.0 112.065 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -62.34 -31.68 81.56 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.708 2.272 . . . . 0.0 112.84 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.57 -39.85 95.46 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.389 1.076 . . . . 0.0 112.348 174.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.6 tp -71.2 -45.21 63.84 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.713 0.805 . . . . 0.0 111.153 174.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -53.16 -45.9 68.64 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.88 -0.581 . . . . 0.0 111.406 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -56.85 -36.02 69.53 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.327 1.051 . . . . 0.0 113.448 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tt -62.67 -37.56 86.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.663 0.785 . . . . 0.0 111.414 172.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.01 -42.16 81.13 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.976 0.91 . . . . 0.0 111.485 170.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -32.94 70.18 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.53 -1.356 . . . . 0.0 112.187 176.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 m -64.74 -17.71 64.39 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.788 1.235 . . . . 0.0 113.792 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 m -113.81 21.15 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 125.861 1.665 . . . . 0.0 112.243 170.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.07 22.34 57.55 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 130.08 43.31 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 119.085 1.442 . . . . 0.0 110.933 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -93.21 -37.95 11.81 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.099 1.888 . . . . 0.0 116.099 -168.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -77.66 170.41 16.62 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.874 1.67 . . . . 0.0 112.17 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -102.57 -2.58 28.21 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 168.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -145.07 147.57 32.72 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.982 1.713 . . . . 0.0 107.443 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -147.74 161.67 40.74 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.681 1.593 . . . . 0.0 114.386 -169.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -80.52 161.77 24.65 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 166.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.7 mtp -55.57 -39.91 71.29 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.654 -1.279 . . . . 0.0 112.832 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -65.68 -42.77 90.89 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.254 1.021 . . . . 0.0 111.744 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.15 -43.58 94.78 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.4 t -63.07 -48.82 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.518 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.1 mt -57.69 -41.63 82.04 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.96 0.8 . . . . 0.0 111.925 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.251 26.3 t80 -55.11 -56.77 16.16 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 171.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -61.89 -41.8 98.32 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.0 -43.69 98.07 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.614 1.166 . . . . 0.0 111.497 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.04 -42.98 99.76 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.55 0.595 . . . . 0.0 112.879 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -64.58 -32.68 74.43 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.205 1.402 . . . . 0.0 112.525 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -68.59 -50.08 54.37 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.709 0.804 . . . . 0.0 112.287 173.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.19 -41.44 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 111.217 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 48.1 ttm -61.8 -55.37 30.76 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.317 1.447 . . . . 0.0 112.197 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -66.68 -34.44 77.87 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -76.61 -13.14 60.09 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.576 1.55 . . . . 0.0 113.77 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 53.45 44.55 29.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.402 2.281 . . . . 0.0 113.201 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.9 mt -75.69 -8.18 56.17 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -63.73 149.06 47.56 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.988 1.848 . . . . 0.0 115.988 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -63.64 148.03 50.03 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.361 -0.837 . . . . 0.0 111.426 169.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -67.58 -34.58 77.33 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.747 -1.221 . . . . 0.0 112.094 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -89.43 -59.86 2.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.139 1.376 . . . . 0.0 110.735 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -96.4 78.03 3.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.786 1.234 . . . . 0.0 109.923 176.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -65.91 -12.85 57.73 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.276 -0.89 . . . . 0.0 113.334 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -77.31 -3.02 37.81 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.231 1.412 . . . . 0.0 113.696 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.3 mt -108.19 127.28 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.687 1.595 . . . . 0.0 109.957 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.9 t -99.74 131.15 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.519 1.528 . . . . 0.0 110.529 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.257 45.5 m-85 -98.76 92.34 5.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.366 1.866 . . . . 0.0 115.481 173.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -79.07 -13.84 59.51 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.513 1.525 . . . . 0.0 113.046 -175.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -55.48 141.26 37.48 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.348 1.459 . . . . 0.0 113.762 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 57.38 20.27 5.79 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.673 1.989 . . . . 0.0 115.402 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -128.43 165.74 20.07 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.988 1.715 . . . . 0.0 113.647 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.3 tp -49.52 -38.99 32.62 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.593 1.157 . . . . 0.0 112.182 170.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.8 tp -59.61 -35.93 75.31 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.02 -30.43 72.16 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.025 0.821 . . . . 0.0 113.107 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -67.72 -29.88 69.23 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 170.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.94 -66.27 0.81 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.922 0.889 . . . . 0.0 111.332 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.301 32.2 m-85 -68.09 -21.59 64.95 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 -172.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.91 17.38 75.32 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 123.881 0.753 . . . . 0.0 114.856 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 m -136.68 153.97 76.2 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 126.109 1.764 . . . . 0.0 109.694 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.13 -28.34 23.6 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.129 2.553 . . . . 0.0 112.957 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -163.93 163.5 23.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.352 1.461 . . . . 0.0 112.343 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -154.39 154.83 33.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.259 1.024 . . . . 0.0 109.993 170.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.8 t -88.16 127.86 35.44 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.509 0.724 . . . . 0.0 111.335 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.39 -23.59 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.681 1.592 . . . . 0.0 112.446 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.53 -26.02 66.57 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.895 1.278 . . . . 0.0 113.62 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -79.44 55.13 1.86 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.415 1.086 . . . . 0.0 112.44 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -51.13 -43.73 61.22 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.309 1.044 . . . . 0.0 112.177 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.4 ptt85 -54.61 -35.16 63.09 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.317 1.847 . . . . 0.0 115.128 174.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -80.28 -45.32 18.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.733 1.213 . . . . 0.0 110.421 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.24 -41.27 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.751 0.82 . . . . 0.0 111.007 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -56.63 -45.15 81.7 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.294 0.7 OUTLIER -68.79 -36.5 78.34 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 173.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 67.1 mtm -64.44 -41.22 96.69 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.555 -0.716 . . . . 0.0 112.154 172.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.4 mmm -66.71 -43.07 85.3 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.893 0.877 . . . . 0.0 111.915 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.35 72.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.502 0.721 . . . . 0.0 112.62 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -69.07 -16.21 63.63 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.3 mtt -92.09 5.81 48.85 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.353 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.468 0 C-N-CA 125.593 1.557 . . . . 0.0 113.118 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 17.3 t80 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 117.871 2.545 . . . . 0.0 117.871 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -57.96 -22.9 51.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.93 -37.3 81.82 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.159 0.984 . . . . 0.0 112.827 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -68.02 -42.16 81.07 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -69.5 -36.38 76.44 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.229 0.612 . . . . 0.0 111.403 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.56 -29.7 69.33 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.852 -1.155 . . . . 0.0 112.398 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -72.76 -18.3 61.51 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.922 0.889 . . . . 0.0 112.931 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.02 -49.37 67.96 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.713 1.142 . . . . 0.0 110.493 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.441 ' SD ' ' HE2' ' A' ' 57' ' ' LYS . 14.5 ptp -78.14 -33.34 50.44 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -172.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 177.133 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.5 mt . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -100.25 -25.07 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -177.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 47.54 72.1 1.37 Allowed Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 127.414 2.286 . . . . 0.0 112.618 -174.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.22 165.89 30.99 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.0 2.466 . . . . 0.0 112.919 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -58.4 146.21 72.81 Favored Pre-proline 0 N--CA 1.478 0.945 0 C-N-CA 124.154 0.982 . . . . 0.0 112.16 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -63.43 -26.2 70.69 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.204 2.603 . . . . 0.0 113.649 -175.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.85 -38.57 82.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.06 0.944 . . . . 0.0 112.134 173.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.71 -43.15 56.55 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.184 0.594 . . . . 0.0 111.354 176.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.52 -40.55 68.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.694 0.798 . . . . 0.0 112.273 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.85 -37.06 80.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.966 0.906 . . . . 0.0 113.01 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.6 -41.33 88.63 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.904 0.882 . . . . 0.0 111.677 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.8 -41.42 91.16 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.085 0.857 . . . . 0.0 110.927 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -68.13 -20.54 64.91 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 172.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.6 m -66.87 -17.21 64.78 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.119 0.872 . . . . 0.0 112.609 169.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.64 16.27 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 126.007 1.723 . . . . 0.0 112.535 168.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.38 23.68 50.13 Favored Glycine 0 CA--C 1.533 1.202 0 N-CA-C 117.022 1.569 . . . . 0.0 117.022 168.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.45 121.65 15.77 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 119.393 1.596 . . . . 0.0 112.146 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -81.23 -34.04 32.44 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -168.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -70.33 166.59 19.89 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.919 1.287 . . . . 0.0 112.17 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -101.55 -5.82 24.67 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.062 1.745 . . . . 0.0 115.626 168.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.11 149.66 28.31 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -141.16 152.78 44.95 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.79 158.78 30.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.42 0.688 . . . . 0.0 112.614 166.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 32.4 ttm -61.19 -34.42 75.04 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.456 -1.402 . . . . 0.0 111.536 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' HE2' ' SD ' ' A' ' 0' ' ' MET . 14.1 tptm -62.12 -43.19 99.37 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.503 1.121 . . . . 0.0 111.055 175.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.26 -43.74 81.1 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.09 0.956 . . . . 0.0 113.193 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.78 -50.26 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.762 0.71 . . . . 0.0 110.444 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.14 -45.7 79.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.362 0.665 . . . . 0.0 111.186 173.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.254 39.9 t80 -52.55 -61.0 2.56 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 174.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -60.18 -40.1 88.81 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.987 1.847 . . . . 0.0 115.987 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.73 -46.67 81.25 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.267 1.027 . . . . 0.0 111.923 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.25 -40.26 96.54 Favored Glycine 0 CA--C 1.526 0.775 0 O-C-N 121.577 -0.702 . . . . 0.0 113.215 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -62.91 -35.82 81.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 117.676 0.738 . . . . 0.0 111.916 172.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -62.41 -51.9 65.71 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 170.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.0 mt -58.76 -42.09 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.59 1.156 . . . . 0.0 111.044 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.2 ttm -66.21 -54.13 28.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.701 1.201 . . . . 0.0 112.276 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -66.97 -33.65 76.04 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.0 -4.94 49.57 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.889 1.275 . . . . 0.0 113.66 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 53.3 44.45 30.11 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 127.46 2.304 . . . . 0.0 113.315 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.5 mt -76.68 -5.79 49.4 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -67.29 148.89 51.11 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -59.65 136.24 57.93 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -65.36 -26.14 67.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -84.89 -63.14 1.38 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.333 1.053 . . . . 0.0 111.726 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -96.77 109.5 22.16 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.086 0.954 . . . . 0.0 111.898 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.43 27.14 0.05 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.034 1.334 . . . . 0.0 114.337 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -141.7 -8.83 0.94 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.924 2.089 . . . . 0.0 112.909 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.8 mt -90.48 136.89 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 120.009 1.277 . . . . 0.0 108.377 171.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -121.28 131.31 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.627 1.571 . . . . 0.0 110.234 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 59.6 m-85 -99.05 137.71 37.19 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 175.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.0 p -153.42 37.95 0.48 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.756 1.223 . . . . 0.0 113.28 -171.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 t -70.75 120.73 16.79 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.505 -1.372 . . . . 0.0 111.979 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 55.41 29.65 13.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.307 1.843 . . . . 0.0 115.905 172.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -120.63 -179.23 3.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.518 1.527 . . . . 0.0 113.677 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.5 tp -55.24 -40.54 71.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.31 1.044 . . . . 0.0 112.884 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.5 -34.09 71.96 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.218 0.607 . . . . 0.0 112.417 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.24 -40.11 96.46 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.339 0.971 . . . . 0.0 113.133 171.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.72 -27.71 68.53 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 173.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.5 mt -76.33 -62.13 1.72 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.169 1.388 . . . . 0.0 112.328 171.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.297 29.6 m-85 -71.76 -20.15 61.92 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 117.671 2.471 . . . . 0.0 117.671 -177.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.88 18.86 80.13 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.378 0.99 . . . . 0.0 114.747 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.2 m -143.53 154.38 59.84 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 125.765 1.626 . . . . 0.0 110.053 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.5 -19.98 18.61 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.823 3.015 . . . . 0.0 113.723 173.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.1 p -163.18 160.71 24.45 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.753 1.621 . . . . 0.0 111.559 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -153.07 175.2 13.25 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.582 1.153 . . . . 0.0 108.349 174.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.8 t -130.14 131.06 45.51 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.294 -0.879 . . . . 0.0 113.012 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -3.21 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 126.182 1.793 . . . . 0.0 114.663 172.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -65.79 -30.05 70.63 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.507 1.123 . . . . 0.0 112.229 169.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -116.28 74.86 0.92 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.602 1.561 . . . . 0.0 112.621 -174.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -50.8 -34.36 27.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.781 1.232 . . . . 0.0 113.383 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.8 -37.63 43.67 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.878 1.671 . . . . 0.0 114.398 174.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -79.06 -40.5 31.1 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.99 0.916 . . . . 0.0 111.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.6 -43.53 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.116 0.566 . . . . 0.0 110.992 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -56.45 -43.66 79.74 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.255 0.9 OUTLIER -65.75 -34.73 78.84 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 174.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.5 mtm -74.13 -36.47 64.17 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.361 -0.837 . . . . 0.0 112.555 174.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 92.1 mmm -64.64 -40.59 95.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.635 0.774 . . . . 0.0 111.677 171.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.34 79.56 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.756 -0.59 . . . . 0.0 111.775 171.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.0 m -70.33 -6.13 32.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.8 mtt -93.79 -5.36 48.41 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.672 1.189 . . . . 0.0 114.052 171.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.477 0.922 0 C-N-CA 125.574 1.55 . . . . 0.0 115.087 -178.308 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 38.6 t80 . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -68.05 -32.14 72.29 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.82 -37.11 86.18 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.315 -0.865 . . . . 0.0 111.717 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -68.64 -45.57 71.47 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -67.27 -36.53 81.78 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.402 1.081 . . . . 0.0 111.965 -177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.59 -32.1 71.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.489 1.116 . . . . 0.0 112.291 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -70.86 -19.41 62.64 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.215 1.006 . . . . 0.0 112.433 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.44 -53.18 52.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.185 0.994 . . . . 0.0 111.401 169.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.1 ptp -76.45 -21.69 55.57 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 125.766 1.626 . . . . 0.0 114.166 170.265 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 CA--C 1.542 0.657 0 CA-C-O 120.769 0.319 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -100.18 -22.58 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -173.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 53.37 76.31 0.54 Allowed Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.85 2.06 . . . . 0.0 112.835 -168.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HB3' HD23 ' A' ' 40' ' ' LEU . 24.0 Cg_exo -62.61 155.54 58.07 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.374 2.716 . . . . 0.0 113.995 -174.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 43.3 mtmt -60.19 149.47 75.3 Favored Pre-proline 0 N--CA 1.479 0.987 0 C-N-CA 123.863 0.865 . . . . 0.0 111.549 169.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -61.11 -32.57 91.56 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.747 2.298 . . . . 0.0 112.814 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.46 -37.67 84.43 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.535 1.134 . . . . 0.0 112.383 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 112' ' ' MET . 53.8 tp -76.36 -46.35 27.87 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.733 0.813 . . . . 0.0 111.543 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.09 -38.44 68.11 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.627 0.771 . . . . 0.0 112.093 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -56.0 -42.06 75.83 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.316 1.046 . . . . 0.0 113.234 170.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.27 -44.64 87.4 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.002 0.921 . . . . 0.0 111.684 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mt -61.64 -42.68 99.24 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.859 0.754 . . . . 0.0 111.228 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.67 -21.53 61.06 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -66.06 -23.07 66.46 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.668 0.787 . . . . 0.0 112.741 168.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.2 m -104.53 16.28 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.668 1.587 . . . . 0.0 113.678 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.33 23.67 46.87 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 116.519 1.368 . . . . 0.0 116.519 169.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.56 133.75 55.53 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 119.199 1.5 . . . . 0.0 111.97 173.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -87.15 -45.55 10.57 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -169.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -89.22 173.66 8.28 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.799 2.04 . . . . 0.0 112.594 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -102.29 -3.93 26.44 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 p -135.95 145.15 45.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.206 1.402 . . . . 0.0 108.504 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -149.48 162.47 40.06 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.199 1.8 . . . . 0.0 114.767 -170.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -83.52 165.97 18.66 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.76 1.224 . . . . 0.0 113.286 167.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.4 mmt -53.29 -42.37 66.54 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.253 -0.905 . . . . 0.0 112.575 171.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.85 -44.17 86.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.159 0.984 . . . . 0.0 112.098 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -65.69 -41.01 92.91 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.52 -49.11 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.442 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 mt -58.92 -43.7 91.16 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.268 0.94 . . . . 0.0 111.3 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.268 31.0 t80 -51.41 -59.6 4.06 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 172.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -60.55 -41.67 94.99 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.54 -40.52 97.05 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.733 1.213 . . . . 0.0 111.554 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.56 -38.08 95.25 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 119.275 -0.736 . . . . 0.0 113.381 172.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -62.9 -37.61 87.64 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.8 1.3 . . . . 0.0 111.433 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -67.97 -47.53 68.35 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.226 0.61 . . . . 0.0 110.882 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.03 -39.06 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.012 0.925 . . . . 0.0 111.489 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.0 mtm -66.36 -54.77 20.62 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 173.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -64.46 -33.25 75.45 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -80.83 -12.28 59.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.752 1.621 . . . . 0.0 113.89 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 52.55 48.52 22.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.51 2.324 . . . . 0.0 113.56 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.0 mt -80.18 -5.61 56.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -176.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -67.53 146.35 54.02 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 170.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.9 130.98 45.44 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -62.58 -27.42 69.18 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -81.22 -62.39 1.67 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.703 1.201 . . . . 0.0 111.302 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -110.12 93.15 4.35 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.811 1.244 . . . . 0.0 111.225 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -66.07 -14.27 61.44 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.208 -0.932 . . . . 0.0 113.441 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -76.24 3.97 9.69 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.778 1.231 . . . . 0.0 113.777 169.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.4 mt -119.01 133.96 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.777 1.631 . . . . 0.0 109.411 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.8 t -106.93 133.74 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.451 1.5 . . . . 0.0 111.646 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.298 51.9 m-85 -103.5 83.69 2.2 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.418 1.887 . . . . 0.0 115.542 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 m -73.57 -15.52 61.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.157 1.783 . . . . 0.0 113.462 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -52.46 138.11 28.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.435 1.494 . . . . 0.0 114.292 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 58.55 16.23 4.12 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.951 2.1 . . . . 0.0 115.927 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -120.9 167.79 12.17 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.716 1.607 . . . . 0.0 113.761 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.97 -35.83 35.68 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.671 1.188 . . . . 0.0 112.463 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.79 -37.12 85.44 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.606 -0.684 . . . . 0.0 112.755 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.97 -36.46 51.98 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.188 0.899 . . . . 0.0 112.758 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.47 -31.55 71.52 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 170.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.19 -62.57 1.47 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.972 1.309 . . . . 0.0 112.262 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.263 43.7 m-85 -68.34 -24.77 64.85 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 -174.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.94 16.31 79.47 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.063 0.84 . . . . 0.0 114.738 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.28 153.41 68.8 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 125.995 1.718 . . . . 0.0 109.592 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.42 -25.5 21.42 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.381 2.721 . . . . 0.0 113.425 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.3 p -163.97 163.37 23.49 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.086 1.354 . . . . 0.0 112.675 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -154.41 157.69 38.89 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.472 1.109 . . . . 0.0 110.529 170.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.5 t -93.31 132.34 37.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.844 0.858 . . . . 0.0 111.969 169.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.22 -17.37 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.245 1.818 . . . . 0.0 113.742 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -62.67 -33.13 74.42 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 175.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -88.64 100.44 13.1 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 122.328 1.061 . . . . 0.0 113.083 172.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -68.62 -53.28 23.6 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.223 -176.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -57.14 -35.04 69.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.053 1.741 . . . . 0.0 113.362 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -64.6 -44.71 89.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.681 1.193 . . . . 0.0 111.221 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.8 mt -66.1 -47.46 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 119.038 -0.506 . . . . 0.0 110.92 173.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -55.33 -46.6 76.33 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -61.48 -40.65 95.33 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 75.2 mtm -67.44 -45.86 74.8 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.697 -0.627 . . . . 0.0 112.132 174.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -78.2 -21.13 50.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.722 0.809 . . . . 0.0 112.217 -173.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.58 -24.99 66.42 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.947 -1.096 . . . . 0.0 112.065 168.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -70.06 -16.34 63.13 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.717 -1.24 . . . . 0.0 112.26 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.488 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 35.9 mtt -83.63 4.0 30.35 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.112 1.365 . . . . 0.0 113.023 171.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.475 0.776 0 C-N-CA 126.185 1.794 . . . . 0.0 114.567 177.629 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 45.8 t80 . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -68.86 -30.77 69.36 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -172.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -65.18 -41.29 94.76 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.324 -0.86 . . . . 0.0 111.5 172.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -63.36 -41.78 98.85 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 169.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -70.12 -38.25 75.53 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.636 0.775 . . . . 0.0 111.668 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.69 -30.82 71.85 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.977 -1.077 . . . . 0.0 111.932 173.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -29.03 70.1 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.678 1.191 . . . . 0.0 112.91 177.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.37 -53.4 58.59 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.403 0.681 . . . . 0.0 111.299 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.3 ptp -81.24 -28.36 34.84 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -172.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 . . . . . 0 N--CA 1.472 0.646 0 C-N-CA 124.473 1.109 . . . . 0.0 113.07 176.662 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.6 mt . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 m -99.05 -24.21 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 53.67 77.98 0.42 Allowed Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 126.949 2.1 . . . . 0.0 112.287 -168.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.431 ' CB ' HD23 ' A' ' 40' ' ' LEU . 58.7 Cg_endo -70.95 152.88 63.55 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 122.743 2.295 . . . . 0.0 111.842 176.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 0.1 OUTLIER -65.75 155.81 85.09 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 123.369 0.668 . . . . 0.0 111.956 178.229 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -57.5 -33.14 95.95 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.109 2.54 . . . . 0.0 114.444 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.7 tp -63.05 -34.37 77.42 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.301 1.041 . . . . 0.0 112.602 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 112' ' ' MET . 50.6 tp -76.9 -42.91 37.71 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 123.883 0.873 . . . . 0.0 111.252 174.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.3 tp -55.89 -40.15 72.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.207 0.603 . . . . 0.0 112.084 175.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -56.09 -45.44 79.39 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.051 0.94 . . . . 0.0 112.241 170.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.19 -45.47 88.2 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.854 0.861 . . . . 0.0 111.698 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.13 -43.3 99.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.707 0.803 . . . . 0.0 110.745 176.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -75.26 -19.14 59.88 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 p -64.54 -27.26 68.84 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 118.955 0.798 . . . . 0.0 112.195 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -99.51 14.91 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.399 1.48 . . . . 0.0 113.237 169.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.69 29.31 32.68 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 116.042 1.177 . . . . 0.0 116.042 169.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.35 136.49 57.94 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 119.211 1.505 . . . . 0.0 110.987 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -91.53 -17.72 25.23 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -167.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -104.9 169.63 8.33 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.826 2.051 . . . . 0.0 115.094 -171.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -93.43 -19.56 21.16 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.683 1.993 . . . . 0.0 116.172 169.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 p -142.93 152.29 41.87 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.704 2.002 . . . . 0.0 108.049 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -145.36 163.59 34.1 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.922 1.289 . . . . 0.0 114.42 -169.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -83.55 161.5 21.18 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.748 1.219 . . . . 0.0 114.117 166.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.1 mmt -54.79 -43.06 72.53 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.887 -1.133 . . . . 0.0 112.42 173.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -71.37 -33.83 69.89 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.233 1.013 . . . . 0.0 112.832 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.68 -45.05 84.32 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 170.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.88 -45.41 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.099 0.56 . . . . 0.0 109.98 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.65 -47.27 85.02 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.931 0.787 . . . . 0.0 111.539 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -52.46 -57.53 9.59 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 174.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -62.1 -38.17 87.86 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.6 tp -65.61 -41.45 92.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.911 0.885 . . . . 0.0 111.838 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.45 -42.2 99.72 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 121.432 -0.792 . . . . 0.0 112.672 173.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -61.09 -37.26 82.08 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 117.794 0.797 . . . . 0.0 112.664 171.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.06 -50.03 70.01 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.03 -37.45 77.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.296 1.038 . . . . 0.0 111.486 177.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.8 mtm -64.73 -52.18 58.41 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 173.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -66.5 -35.26 79.82 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -77.96 -19.38 54.65 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.816 1.646 . . . . 0.0 114.014 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 56.0 46.29 22.12 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.234 2.214 . . . . 0.0 113.404 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.7 mt -76.62 -12.03 59.95 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -67.11 151.83 46.87 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -65.3 130.54 43.71 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.387 -0.82 . . . . 0.0 111.543 167.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -56.45 -29.67 61.95 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -86.99 -64.44 1.15 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.21 1.004 . . . . 0.0 110.922 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -86.96 74.63 9.69 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.025 1.33 . . . . 0.0 110.351 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -67.57 -14.5 62.99 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.304 -0.873 . . . . 0.0 112.832 -174.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -80.15 4.04 18.63 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.131 1.372 . . . . 0.0 113.916 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.5 mt -124.99 129.93 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.527 1.531 . . . . 0.0 110.285 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.0 t -101.31 136.46 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.952 1.701 . . . . 0.0 110.626 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 73.9 m-85 -110.93 62.21 0.61 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.054 2.141 . . . . 0.0 115.042 -178.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.48 2.53 3.02 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -171.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.7 t -48.79 133.07 17.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.319 1.448 . . . . 0.0 113.869 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 59.93 1.09 0.3 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.634 2.374 . . . . 0.0 116.798 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -85.56 167.92 14.96 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 120.962 -1.087 . . . . 0.0 111.9 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.2 tp -53.37 -36.93 61.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.049 0.94 . . . . 0.0 111.418 168.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.88 -35.06 76.43 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.92 -36.54 92.98 Favored Glycine 0 CA--C 1.532 1.134 0 O-C-N 121.571 -0.706 . . . . 0.0 112.691 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.84 -26.92 65.4 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 171.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.5 mt -78.7 -53.68 6.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.075 1.35 . . . . 0.0 112.454 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.27 32.9 m-85 -70.32 -24.19 62.97 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 117.229 2.307 . . . . 0.0 117.229 175.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.59 19.42 79.88 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.468 1.032 . . . . 0.0 114.625 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.89 154.52 62.25 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 125.671 1.588 . . . . 0.0 110.209 -175.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -71.62 -24.0 22.44 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.379 2.72 . . . . 0.0 113.373 173.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.8 p -161.73 159.8 27.68 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.022 1.329 . . . . 0.0 112.171 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.52 153.67 31.85 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.961 0.904 . . . . 0.0 109.547 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.8 t -90.04 128.64 36.33 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.952 0.901 . . . . 0.0 112.284 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.94 -29.56 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.473 1.509 . . . . 0.0 113.122 172.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -66.38 -29.49 69.67 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.569 1.548 . . . . 0.0 112.532 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -80.82 60.65 4.16 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.453 1.501 . . . . 0.0 111.988 173.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -53.54 -41.58 66.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -169.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -62.14 -37.49 85.37 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.22 1.008 . . . . 0.0 113.054 -176.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -64.81 -42.91 94.62 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.955 0.902 . . . . 0.0 110.813 174.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.23 -47.85 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.007 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -57.06 -42.74 81.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.072 1.305 . . . . 0.0 113.275 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.289 0.8 OUTLIER -69.19 -36.19 77.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 175.295 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.2 mtm -69.72 -35.51 75.08 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.105 -0.997 . . . . 0.0 112.614 171.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 90.4 mmm -66.2 -40.36 90.32 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.467 1.107 . . . . 0.0 111.474 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.87 72.01 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.631 -0.668 . . . . 0.0 112.478 171.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.1 m -70.53 -14.95 62.72 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 172.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.495 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 45.3 mtt -81.83 -12.32 58.56 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.729 -1.232 . . . . 0.0 113.116 169.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.29 1.3 p . . . . . 0 N--CA 1.475 0.801 0 C-N-CA 126.713 2.005 . . . . 0.0 115.619 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 35.8 t80 . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -66.45 -31.0 71.48 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -65.0 -41.47 95.36 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.319 -0.863 . . . . 0.0 111.668 173.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -64.69 -40.2 94.97 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 169.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -73.87 -33.98 64.27 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.139 0.976 . . . . 0.0 111.848 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 15.5 tp -63.21 -31.17 72.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.755 -1.215 . . . . 0.0 111.971 171.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -25.67 67.43 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.924 1.29 . . . . 0.0 112.31 178.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.22 -56.5 18.03 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.36 0.664 . . . . 0.0 111.281 170.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.6 ptp -72.49 -29.65 63.83 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 124.547 1.139 . . . . 0.0 112.976 173.106 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 CA--C 1.539 0.531 0 CA-C-O 121.792 0.806 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.41 HG21 HG21 ' A' ' 113' ' ' THR . 2.2 m -126.08 161.02 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.963 2.505 . . . . 0.0 111.108 168.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.19 90.92 10.48 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 123.41 0.684 . . . . 0.0 109.702 173.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.83 152.91 80.23 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.506 2.138 . . . . 0.0 112.488 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.61 157.47 57.36 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 124.146 0.978 . . . . 0.0 112.654 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -55.68 -35.58 93.37 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.26 2.64 . . . . 0.0 114.701 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.15 -33.47 75.86 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.088 0.955 . . . . 0.0 112.758 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.8 tp -79.79 -42.9 23.48 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 124.224 1.009 . . . . 0.0 111.281 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -55.66 -40.73 72.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.499 0.72 . . . . 0.0 111.767 174.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -54.95 -45.72 74.91 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.446 1.098 . . . . 0.0 112.523 170.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.37 -46.06 85.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.053 0.941 . . . . 0.0 111.372 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.17 -40.46 93.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.803 0.841 . . . . 0.0 110.934 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -71.74 -25.05 61.9 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.0 p -64.81 -26.73 68.47 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.267 0.94 . . . . 0.0 112.232 172.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -98.84 12.17 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.944 1.697 . . . . 0.0 113.367 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.3 28.16 28.51 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.208 1.385 . . . . 0.0 116.433 168.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.66 137.21 45.89 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.415 1.607 . . . . 0.0 111.28 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -89.49 -31.69 17.55 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -168.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -93.14 177.21 6.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.774 1.63 . . . . 0.0 113.649 -169.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -112.61 -0.07 15.26 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.241 1.816 . . . . 0.0 114.786 167.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 p -137.99 143.87 40.85 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.908 2.083 . . . . 0.0 106.962 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -148.26 155.74 41.7 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -170.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 p -77.34 158.11 30.31 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 118.788 0.722 . . . . 0.0 112.686 165.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.6 mmt -58.16 -38.61 76.96 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.85 -1.156 . . . . 0.0 112.863 173.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -66.76 -37.47 84.67 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.123 0.874 . . . . 0.0 112.805 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.77 -47.04 85.22 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.654 1.116 . . . . 0.0 112.648 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.14 -48.02 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 122.996 0.518 . . . . 0.0 110.498 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 mt -57.95 -49.14 77.81 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.752 0.705 . . . . 0.0 111.745 175.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -51.34 -56.01 15.41 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 115.486 1.661 . . . . 0.0 115.486 175.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -62.45 -41.92 99.09 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.94 -39.47 94.71 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.921 0.888 . . . . 0.0 111.591 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.49 -51.33 57.09 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 170.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -59.0 -33.94 71.28 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.969 0.885 . . . . 0.0 112.445 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.03 -49.02 64.03 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.919 0.781 . . . . 0.0 112.114 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.33 -38.61 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.439 1.095 . . . . 0.0 111.123 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 41.9 mtp -67.45 -51.85 46.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.321 1.448 . . . . 0.0 113.34 175.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -65.23 -32.84 74.71 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -82.6 -16.36 48.72 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.661 1.585 . . . . 0.0 114.663 172.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 52.92 48.4 22.52 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 127.197 2.199 . . . . 0.0 113.312 -174.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.4 mt -74.21 -11.82 60.39 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -62.75 148.11 47.74 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.77 129.7 41.19 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.332 -0.855 . . . . 0.0 112.744 168.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.12 -28.28 67.73 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -80.96 -68.85 0.65 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.884 0.874 . . . . 0.0 110.109 173.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -100.48 91.01 4.49 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.104 0.962 . . . . 0.0 110.239 -178.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.37 -8.96 44.73 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.203 -0.935 . . . . 0.0 112.844 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -81.22 10.2 5.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.897 1.679 . . . . 0.0 113.086 167.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.2 mt -126.54 137.88 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.739 2.015 . . . . 0.0 108.932 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.46 126.26 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 125.62 1.568 . . . . 0.0 110.636 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.29 55.8 m-85 -95.19 65.0 2.79 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.061 2.144 . . . . 0.0 115.199 177.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.73 -6.15 24.71 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.868 2.174 . . . . 0.0 116.868 -169.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.3 t -45.84 129.98 9.41 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.736 1.615 . . . . 0.0 114.037 -177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 59.53 -22.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.692 2.797 . . . . 0.0 117.691 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.251 16.2 m-20 -78.08 55.55 1.49 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.295 1.838 . . . . 0.0 115.536 172.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.3 tp 60.18 -50.88 0.09 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 129.514 3.126 . . . . 0.0 115.515 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.73 -29.75 70.74 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.169 1.788 . . . . 0.0 114.188 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.46 -32.91 82.82 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.414 -0.804 . . . . 0.0 113.41 172.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -74.08 -25.91 60.08 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.9 mt -73.47 -54.8 7.39 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.151 0.98 . . . . 0.0 111.603 170.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.266 39.0 m-85 -70.08 -21.36 63.15 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 116.946 2.202 . . . . 0.0 116.946 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.37 22.06 76.47 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.472 1.034 . . . . 0.0 114.262 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.8 m -146.36 155.62 49.89 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.183 1.793 . . . . 0.0 109.523 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.29 -23.93 20.28 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.178 2.586 . . . . 0.0 113.379 172.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.3 p -159.82 159.04 32.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.3 1.44 . . . . 0.0 112.099 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -150.9 162.82 40.06 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.957 0.903 . . . . 0.0 109.536 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -107.78 114.98 29.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.274 1.429 . . . . 0.0 113.46 -174.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.96 -22.52 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.277 1.431 . . . . 0.0 114.067 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -56.86 -28.53 61.86 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.067 1.747 . . . . 0.0 113.348 169.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -110.93 73.08 0.8 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.105 1.362 . . . . 0.0 111.944 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -50.3 -40.56 48.96 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.744 1.218 . . . . 0.0 113.241 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -35.46 47.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.256 1.823 . . . . 0.0 114.175 175.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -81.62 -35.53 29.97 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.23 1.412 . . . . 0.0 111.596 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.05 -45.16 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.236 0.615 . . . . 0.0 110.89 173.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -54.53 -45.87 73.48 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 t -64.89 -36.8 85.53 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.8 mtm -72.2 -39.09 68.86 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.605 -0.684 . . . . 0.0 112.359 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.9 mmm -63.46 -40.44 97.13 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.966 0.907 . . . . 0.0 111.754 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.47 -29.09 70.43 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.601 0.76 . . . . 0.0 112.777 174.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.7 m -74.97 -16.56 60.63 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 176.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.9 mtt -79.35 -1.79 38.56 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.41 HG21 HG21 ' A' ' 34' ' ' VAL 0.269 2.0 p . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 126.297 1.839 . . . . 0.0 115.634 -176.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 13.5 t80 . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -66.02 -27.3 68.01 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -62.02 -39.5 92.5 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.307 -0.871 . . . . 0.0 111.447 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -71.45 -42.72 67.84 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -67.77 -34.84 77.59 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.53 0.732 . . . . 0.0 111.834 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.58 -32.48 70.41 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.396 1.079 . . . . 0.0 112.434 174.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -73.12 -19.08 61.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.908 0.883 . . . . 0.0 112.899 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 73.5 mt -64.54 -55.63 19.28 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.512 0.596 . . . . 0.0 110.842 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.21 -23.55 64.84 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -172.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 171.045 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.96 169.27 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 130.013 3.325 . . . . 0.0 109.99 168.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -112.3 91.4 16.27 Favored Pre-proline 0 N--CA 1.472 0.637 0 O-C-N 121.893 -0.504 . . . . 0.0 111.403 172.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -62.96 148.85 93.02 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.646 2.231 . . . . 0.0 112.67 175.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.46 156.71 50.91 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 124.912 1.285 . . . . 0.0 113.007 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -56.09 -35.17 94.54 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.272 2.648 . . . . 0.0 114.636 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.51 -35.66 81.21 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.209 1.004 . . . . 0.0 112.524 175.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.0 tp -79.1 -40.72 30.38 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.753 1.221 . . . . 0.0 111.49 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.1 tp -55.63 -41.08 73.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.795 0.838 . . . . 0.0 111.847 172.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.86 -41.41 82.37 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.8 0.84 . . . . 0.0 112.658 172.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 tt -65.92 -47.7 73.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.028 0.931 . . . . 0.0 111.335 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.68 -41.91 96.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.108 0.963 . . . . 0.0 111.163 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -74.39 -24.16 59.08 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.6 p -64.56 -26.65 68.51 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.189 0.904 . . . . 0.0 112.374 170.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.9 m -98.01 13.38 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.833 1.653 . . . . 0.0 114.263 169.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 22.35 30.02 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 117.0 1.56 . . . . 0.0 117.0 168.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.61 166.04 13.58 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 119.626 1.713 . . . . 0.0 112.572 172.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -136.76 -27.62 1.01 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -169.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -83.95 176.9 8.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.478 1.511 . . . . 0.0 113.523 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -101.91 -38.15 7.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.154 1.382 . . . . 0.0 114.084 167.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -99.99 148.71 24.21 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.212 1.805 . . . . 0.0 107.977 172.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -145.26 151.41 38.32 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.612 1.565 . . . . 0.0 113.078 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -73.41 153.29 40.48 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.351 0.978 . . . . 0.0 112.782 167.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 mtp -60.5 -30.91 70.01 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.644 -1.285 . . . . 0.0 112.24 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -68.39 -41.5 80.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.089 1.356 . . . . 0.0 112.413 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.42 -42.89 98.74 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.158 0.89 . . . . 0.0 112.64 172.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.39 -49.73 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.607 0.763 . . . . 0.0 109.467 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.65 -47.68 83.62 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.098 0.863 . . . . 0.0 111.356 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -51.77 -50.98 59.62 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 176.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -72.57 -35.26 67.92 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.27 -40.64 96.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.037 0.935 . . . . 0.0 111.595 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.47 -39.52 97.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 121.77 -0.581 . . . . 0.0 112.97 171.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -63.23 -34.74 78.32 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.3 1.05 . . . . 0.0 113.216 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -66.42 -47.43 73.26 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.633 0.652 . . . . 0.0 111.799 173.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.51 -38.47 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.328 1.051 . . . . 0.0 111.604 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.1 mtm -65.61 -54.36 28.92 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 173.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 t -63.55 -33.47 75.66 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -79.77 -13.82 59.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.636 1.575 . . . . 0.0 114.126 171.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 53.5 46.28 26.48 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.857 2.463 . . . . 0.0 113.224 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.8 mt -78.9 -10.13 59.71 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -173.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -65.48 147.88 52.67 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -67.61 129.86 41.23 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.311 -0.868 . . . . 0.0 113.225 170.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.01 -26.71 68.39 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.222 -0.924 . . . . 0.0 113.298 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -83.47 -67.37 0.8 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.439 1.096 . . . . 0.0 110.955 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -91.92 88.8 6.75 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.333 1.053 . . . . 0.0 110.835 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.61 -17.51 62.95 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -86.63 6.36 31.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.946 1.698 . . . . 0.0 114.207 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -121.97 138.8 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.405 1.482 . . . . 0.0 110.404 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.6 t -114.3 135.7 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.034 1.734 . . . . 0.0 110.7 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -107.58 130.07 54.92 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.283 1.833 . . . . 0.0 114.463 173.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.8 p -146.64 16.49 1.27 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -168.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.9 t -54.71 125.93 21.95 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.15 -0.969 . . . . 0.0 112.295 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 58.32 9.76 1.12 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 127.13 2.172 . . . . 0.0 116.381 -175.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -87.28 166.04 15.2 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.512 1.125 . . . . 0.0 112.501 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.82 -38.69 61.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.1 0.96 . . . . 0.0 112.054 169.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.2 tp -67.49 -35.47 79.21 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.93 -35.0 65.22 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.678 0.656 . . . . 0.0 112.616 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.2 -29.76 70.6 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 170.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.3 mt -74.91 -64.09 1.12 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.904 1.282 . . . . 0.0 112.01 169.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.279 37.5 m-85 -67.29 -21.07 65.7 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 -177.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.85 18.6 78.68 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.66 1.124 . . . . 0.0 114.831 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.3 m -143.16 153.61 60.16 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 125.396 1.478 . . . . 0.0 110.553 -174.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.78 -20.21 20.2 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.753 2.969 . . . . 0.0 113.866 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -164.04 160.62 21.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.792 1.637 . . . . 0.0 111.186 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -154.83 157.05 37.3 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.536 0.684 . . . . 0.0 110.464 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.3 t -92.06 127.72 37.64 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.47 1.108 . . . . 0.0 112.165 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.2 t -66.51 -31.04 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.496 1.518 . . . . 0.0 113.208 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -64.51 -30.62 71.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.358 1.463 . . . . 0.0 112.498 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -79.6 58.05 2.62 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.467 1.507 . . . . 0.0 112.514 177.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -51.89 -40.63 60.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.902 1.281 . . . . 0.0 114.39 -169.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -57.77 -42.18 83.53 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.724 1.21 . . . . 0.0 112.788 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -67.66 -41.23 84.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.959 0.903 . . . . 0.0 111.868 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.0 mt -61.46 -47.79 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.0 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.59 -44.68 85.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.782 1.174 . . . . 0.0 113.837 -176.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.254 1.5 t -66.35 -40.75 90.01 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 74.1 mtm -65.41 -42.6 92.39 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.574 -0.704 . . . . 0.0 112.111 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -76.73 -32.63 57.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 0.0 111.607 -175.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.33 80.18 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.446 -0.784 . . . . 0.0 111.813 172.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 m -64.16 -16.45 61.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.255 1.022 . . . . 0.0 113.739 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.0 mtt -78.22 -3.01 40.54 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.422 1.089 . . . . 0.0 113.459 171.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.269 1.6 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -170.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -68.44 -30.53 69.43 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -170.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -63.42 -40.58 97.57 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.272 -0.893 . . . . 0.0 111.603 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -64.6 -42.26 95.68 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 168.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -70.86 -36.33 72.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.197 0.599 . . . . 0.0 112.194 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 14.9 tp -64.4 -32.49 74.13 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.931 -1.106 . . . . 0.0 112.477 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -64.1 -30.72 71.77 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.129 1.372 . . . . 0.0 111.696 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.26 -54.21 32.65 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.981 0.913 . . . . 0.0 111.817 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . 0.463 ' SD ' ' HE2' ' A' ' 57' ' ' LYS . 13.0 ptp -67.99 -29.48 68.52 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -173.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 . . . . . 0 CA--C 1.545 0.779 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 173.342 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.9 m -103.6 -24.79 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -172.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 47.03 81.16 0.26 Allowed Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 127.597 2.359 . . . . 0.0 111.535 -169.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -67.62 159.71 51.36 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.158 1.905 . . . . 0.0 112.807 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -56.79 146.1 59.39 Favored Pre-proline 0 N--CA 1.473 0.713 0 C-N-CA 125.973 1.709 . . . . 0.0 111.928 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.1 -31.21 83.3 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.144 2.563 . . . . 0.0 113.429 -171.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.69 -35.98 81.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.135 0.974 . . . . 0.0 111.901 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 tp -72.14 -45.9 58.67 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.381 0.672 . . . . 0.0 111.815 169.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 tp -53.77 -39.96 65.82 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.016 0.526 . . . . 0.0 111.614 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -62.0 -34.29 75.92 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 174.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.19 -39.23 92.01 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.64 -0.663 . . . . 0.0 110.905 170.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.95 -41.68 90.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.124 0.57 . . . . 0.0 111.153 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -59.71 -32.25 70.35 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.439 -1.413 . . . . 0.0 112.982 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -65.16 -14.72 61.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.592 1.157 . . . . 0.0 113.573 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.32 22.39 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.316 1.847 . . . . 0.0 112.547 170.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.35 23.01 59.5 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 116.583 1.393 . . . . 0.0 116.583 169.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 120.1 9.97 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 118.97 1.385 . . . . 0.0 112.426 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -77.3 -51.95 10.02 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -169.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -71.73 173.42 8.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.432 1.893 . . . . 0.0 112.728 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -112.54 2.52 16.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.479 1.912 . . . . 0.0 115.308 168.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -136.57 137.4 40.16 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.448 1.899 . . . . 0.0 106.862 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -143.3 156.96 44.85 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.38 1.472 . . . . 0.0 114.564 -173.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -79.88 162.45 25.01 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 166.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.1 mmt -55.75 -37.14 68.11 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.738 -1.226 . . . . 0.0 112.926 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.463 ' HE2' ' SD ' ' A' ' 0' ' ' MET . 13.1 tptm -63.26 -44.79 94.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.565 1.146 . . . . 0.0 110.888 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -68.38 -42.96 78.33 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.514 1.126 . . . . 0.0 113.295 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.88 -49.29 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.557 0.617 . . . . 0.0 110.486 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.47 -41.53 85.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.809 0.731 . . . . 0.0 111.816 173.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.253 26.5 t80 -52.93 -58.69 6.11 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 171.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -60.18 -38.85 84.47 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.19 -44.34 88.73 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.205 1.002 . . . . 0.0 111.694 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.75 -41.71 98.83 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.557 -0.714 . . . . 0.0 112.741 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -60.86 -36.74 79.96 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.985 0.893 . . . . 0.0 112.759 171.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -64.88 -49.47 70.36 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.13 -40.05 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.356 1.062 . . . . 0.0 111.387 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.2 mtm -63.55 -55.63 22.37 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -64.39 -31.2 72.3 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -81.15 -14.88 57.21 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.586 1.554 . . . . 0.0 114.224 173.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? 52.37 46.72 26.14 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.788 2.035 . . . . 0.0 113.577 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -76.5 -12.49 60.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -67.25 151.2 47.93 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 117.24 2.311 . . . . 0.0 117.24 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -64.13 128.21 34.83 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.464 -0.773 . . . . 0.0 112.549 168.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -58.22 -30.26 66.35 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.293 -0.879 . . . . 0.0 113.247 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -80.15 -68.64 0.66 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.243 1.017 . . . . 0.0 110.983 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -96.42 85.29 3.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.051 0.94 . . . . 0.0 110.606 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.03 -14.35 62.81 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -74.07 0.04 15.01 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.382 1.073 . . . . 0.0 113.229 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.5 mt -114.61 125.11 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.382 1.473 . . . . 0.0 109.7 173.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.4 t -97.7 129.98 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.362 1.465 . . . . 0.0 111.665 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.298 55.3 m-85 -100.06 79.43 2.18 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.397 1.879 . . . . 0.0 115.397 177.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.6 m -69.93 -13.85 62.44 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.355 1.862 . . . . 0.0 113.827 -172.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.4 t -51.89 137.74 25.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.269 1.427 . . . . 0.0 113.631 -173.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 58.88 18.15 5.9 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.541 1.936 . . . . 0.0 115.779 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -120.33 167.05 12.71 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.199 1.4 . . . . 0.0 112.317 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.3 tp -51.04 -34.03 27.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.029 1.332 . . . . 0.0 112.09 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.96 -36.54 84.28 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 174.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.42 -36.14 69.24 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.918 0.771 . . . . 0.0 112.361 174.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.78 -29.61 70.8 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 170.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.0 mt -75.22 -65.17 0.92 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.035 1.334 . . . . 0.0 112.172 170.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.286 30.0 m-85 -70.99 -19.34 62.54 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 -173.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.99 18.27 77.62 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.083 0.849 . . . . 0.0 114.553 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.0 m -139.11 153.81 71.76 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 125.912 1.685 . . . . 0.0 110.004 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.21 -25.53 26.39 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.235 2.623 . . . . 0.0 113.022 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.2 p -163.42 162.84 25.04 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.143 1.377 . . . . 0.0 112.801 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -152.3 158.67 43.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.477 1.111 . . . . 0.0 109.034 169.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 t -99.08 127.86 45.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.893 0.877 . . . . 0.0 112.105 174.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.02 -16.83 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 127.003 2.121 . . . . 0.0 113.514 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -56.47 -36.0 68.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.08 1.352 . . . . 0.0 112.64 170.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -89.77 101.63 14.32 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 122.583 1.183 . . . . 0.0 113.885 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -63.79 -62.5 1.61 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.324 1.45 . . . . 0.0 112.865 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -58.58 -41.68 86.29 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.523 1.129 . . . . 0.0 112.356 -174.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.77 -43.77 97.6 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.59 1.156 . . . . 0.0 111.939 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.8 mt -69.88 -46.99 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.529 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -56.09 -46.07 79.17 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 t -64.84 -37.27 87.05 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 175.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.44 -37.74 77.51 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.383 -0.823 . . . . 0.0 112.737 172.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.8 mmm -65.77 -40.4 92.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.868 0.758 . . . . 0.0 111.72 174.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.09 -35.01 77.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.548 -0.72 . . . . 0.0 112.294 173.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 m -68.25 -6.34 23.22 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 60.4 mtt -100.31 3.25 43.27 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.261 1.424 . . . . 0.0 113.647 173.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.344 1.3 p . . . . . 0 N--CA 1.477 0.92 0 C-N-CA 125.915 1.686 . . . . 0.0 115.07 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -68.81 -31.97 71.35 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -65.46 -19.87 66.12 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.434 -0.791 . . . . 0.0 112.555 173.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -90.0 -39.13 13.15 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 167.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -70.63 -33.84 71.44 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.396 1.078 . . . . 0.0 112.072 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 18.0 tp -58.46 -30.89 67.31 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.92 -1.112 . . . . 0.0 112.385 174.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.34 -28.86 69.59 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.628 1.571 . . . . 0.0 112.324 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.29 -53.6 41.58 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.302 0.641 . . . . 0.0 111.052 173.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.0 ptp -70.15 -23.55 63.02 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 . . . . . 0 CA--C 1.549 0.941 0 C-N-CA 125.891 1.676 . . . . 0.0 113.063 169.884 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.0 mt . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 m -97.89 -19.7 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -172.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 49.43 69.74 2.5 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 127.187 2.195 . . . . 0.0 113.159 -172.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.53 163.88 37.56 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.22 2.613 . . . . 0.0 113.86 -171.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 30.9 mtmt -58.32 149.62 58.1 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 124.632 1.173 . . . . 0.0 112.433 175.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -61.65 -31.43 86.56 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.773 2.315 . . . . 0.0 112.545 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.4 -35.68 79.98 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.358 1.063 . . . . 0.0 112.329 172.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.562 HD22 ' HB3' ' A' ' 112' ' ' MET . 55.9 tp -76.05 -45.64 33.24 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.225 0.61 . . . . 0.0 111.474 174.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 tp -53.27 -39.9 64.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.057 0.943 . . . . 0.0 111.846 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -55.8 -42.13 75.17 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.611 1.165 . . . . 0.0 113.026 171.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.47 -41.95 88.23 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.145 0.978 . . . . 0.0 111.929 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.4 -42.36 98.78 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.412 0.625 . . . . 0.0 110.947 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -71.01 -22.44 62.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.582 1.153 . . . . 0.0 114.094 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.7 m -64.37 -21.32 66.59 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.784 0.833 . . . . 0.0 112.635 169.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.8 m -109.65 16.17 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.778 1.631 . . . . 0.0 113.112 168.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.37 30.82 39.68 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.986 1.279 . . . . 0.0 115.773 168.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.52 132.08 45.71 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 118.909 1.354 . . . . 0.0 111.118 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -81.51 -39.28 24.97 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -167.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -77.47 165.13 24.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.627 1.571 . . . . 0.0 114.928 -173.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -92.12 -15.64 27.43 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.124 1.769 . . . . 0.0 114.276 166.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.5 p -143.88 143.98 31.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.564 1.545 . . . . 0.0 109.352 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -140.61 163.85 31.75 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.034 1.734 . . . . 0.0 112.991 -169.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -86.41 165.96 15.92 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.318 1.447 . . . . 0.0 114.343 167.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.4 mtp -58.89 -41.06 86.24 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.879 -1.138 . . . . 0.0 112.523 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -63.56 -40.14 96.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.687 0.795 . . . . 0.0 112.49 174.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -68.27 -41.98 80.27 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.34 -47.32 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.04 -47.45 85.18 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.699 0.681 . . . . 0.0 111.105 175.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -51.76 -58.45 6.37 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -60.88 -37.31 81.73 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 tp -65.14 -43.63 91.23 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.199 1.0 . . . . 0.0 111.976 173.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.4 99.14 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.283 -0.886 . . . . 0.0 112.826 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.81 -36.57 79.4 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.85 -0.794 . . . . 0.0 112.352 171.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -64.53 -48.99 73.05 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.9 -38.44 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.497 1.119 . . . . 0.0 111.589 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 73.4 mtm -65.4 -54.53 27.4 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 173.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -63.85 -32.99 74.7 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -79.96 -17.25 53.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.939 1.696 . . . . 0.0 114.133 172.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 52.09 48.02 23.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.912 2.485 . . . . 0.0 113.143 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.7 mt -74.74 -11.02 60.06 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -176.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.282 13.4 p90 -68.14 151.44 47.0 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 173.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.12 132.05 52.49 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 172.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -60.67 -26.36 67.04 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.226 -0.921 . . . . 0.0 113.352 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -83.96 -69.0 0.67 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.619 1.168 . . . . 0.0 110.932 170.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -92.23 82.6 5.0 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.503 1.121 . . . . 0.0 111.002 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -69.63 -5.81 27.17 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -89.22 3.65 51.28 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.304 1.441 . . . . 0.0 113.582 169.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.53 125.17 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.686 1.594 . . . . 0.0 110.115 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 t -91.25 135.35 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.778 1.631 . . . . 0.0 112.56 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.28 64.1 m-85 -112.66 64.75 0.63 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.036 2.134 . . . . 0.0 114.867 176.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.3 p -68.71 -3.58 12.68 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 -172.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -50.34 145.54 6.15 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.329 1.852 . . . . 0.0 114.877 -176.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 57.3 27.85 14.33 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.49 1.916 . . . . 0.0 115.358 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -145.51 174.87 10.78 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.723 1.209 . . . . 0.0 108.629 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.8 tp -53.14 -39.38 63.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.762 1.625 . . . . 0.0 113.109 -175.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.9 -35.83 72.47 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.42 -37.69 94.8 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.654 -0.654 . . . . 0.0 112.178 171.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.06 -32.67 74.49 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 170.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.01 -56.68 5.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.872 1.269 . . . . 0.0 112.318 172.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -68.67 -27.58 66.11 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.4 16.4 80.64 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.095 0.855 . . . . 0.0 114.618 -176.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 m -139.95 152.77 68.58 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 125.729 1.611 . . . . 0.0 109.771 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -73.8 -25.35 14.59 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.398 2.732 . . . . 0.0 113.665 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.5 p -163.44 161.44 24.28 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.497 1.119 . . . . 0.0 113.141 -176.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -159.94 153.73 22.86 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.866 1.266 . . . . 0.0 110.037 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.6 t -86.39 130.37 34.53 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.22 -0.925 . . . . 0.0 111.299 170.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.44 -24.35 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.912 0.885 . . . . 0.0 112.467 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.12 -22.17 66.68 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.498 1.519 . . . . 0.0 114.031 174.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -79.14 49.09 0.92 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.945 1.698 . . . . 0.0 112.032 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -50.6 -47.71 58.03 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.682 1.193 . . . . 0.0 113.467 -169.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.16 -40.62 81.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.884 1.274 . . . . 0.0 112.463 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.98 -42.9 65.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.815 1.246 . . . . 0.0 111.53 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.8 mt -58.88 -44.37 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.125 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -62.21 -46.67 87.85 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.53 1.059 . . . . 0.0 112.291 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.3 0.7 OUTLIER -64.88 -34.18 77.78 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 178.304 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 64.7 mtm -69.24 -46.65 66.81 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.78 -0.575 . . . . 0.0 111.966 169.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -72.4 -21.57 61.25 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.326 -0.859 . . . . 0.0 112.511 -175.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.4 -26.34 67.79 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.297 -0.877 . . . . 0.0 112.696 169.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.5 p -73.39 -5.03 37.17 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.932 -1.105 . . . . 0.0 113.612 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.562 ' HB3' HD22 ' A' ' 40' ' ' LEU . 35.7 mtt -92.5 -5.14 52.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.294 1.438 . . . . 0.0 112.568 169.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.255 1.5 p . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 127.503 2.321 . . . . 0.0 114.843 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 41.8 t80 . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.96 -27.22 64.56 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.22 -45.55 92.83 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.534 -0.729 . . . . 0.0 111.03 170.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -64.07 -38.15 90.03 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 168.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -68.01 -37.18 81.12 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.016 0.526 . . . . 0.0 111.195 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.54 -45.55 92.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.237 1.015 . . . . 0.0 111.227 169.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -57.75 -36.79 72.58 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.014 1.326 . . . . 0.0 111.789 175.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -59.8 4.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.199 1.4 . . . . 0.0 112.142 175.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -82.22 -14.62 55.26 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 . . . . . 0 CA--C 1.545 0.763 0 O-C-N 121.197 -0.939 . . . . 0.0 111.191 167.499 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 121.621 0.724 . . . . 0.0 112.65 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.3 m -122.05 161.03 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 127.739 2.416 . . . . 0.0 112.409 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -108.42 88.78 5.3 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 124.454 1.102 . . . . 0.0 111.423 173.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -65.92 156.58 63.6 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.438 2.092 . . . . 0.0 112.589 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -55.4 148.34 33.38 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.076 0.95 . . . . 0.0 112.315 174.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -60.95 -31.06 91.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.844 2.363 . . . . 0.0 113.196 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.4 tp -66.28 -37.96 86.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.91 0.884 . . . . 0.0 112.53 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.5 tp -71.61 -44.79 63.78 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.949 0.9 . . . . 0.0 110.991 172.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.8 tp -56.67 -40.0 74.75 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.793 -0.567 . . . . 0.0 112.012 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.67 -37.02 77.65 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.456 -0.777 . . . . 0.0 112.826 172.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.57 -36.28 82.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.076 0.95 . . . . 0.0 112.175 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.8 -42.65 90.46 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.174 -0.954 . . . . 0.0 111.309 170.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -65.17 -23.07 67.0 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.076 1.509 . . . . 0.0 115.076 172.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 m -65.28 -16.83 63.98 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.958 0.799 . . . . 0.0 113.041 170.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.28 16.86 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.183 1.793 . . . . 0.0 112.843 168.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.53 22.22 58.8 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.416 1.326 . . . . 0.0 116.416 168.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.61 119.49 12.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.136 1.468 . . . . 0.0 111.498 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -71.51 -47.42 55.47 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -168.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -71.84 175.77 5.51 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.833 1.653 . . . . 0.0 113.27 -173.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -117.7 5.48 12.32 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.547 1.939 . . . . 0.0 114.898 168.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.27 138.81 35.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.132 2.173 . . . . 0.0 106.533 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -149.78 154.7 38.88 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -169.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -76.02 159.29 30.97 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.172 0.896 . . . . 0.0 112.966 165.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.8 mmt -57.85 -37.69 74.35 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 120.521 -1.362 . . . . 0.0 113.277 174.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -65.77 -39.99 91.57 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.421 1.088 . . . . 0.0 111.59 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.93 -46.04 83.28 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.414 1.007 . . . . 0.0 113.133 174.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.29 -50.31 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 118.589 0.632 . . . . 0.0 110.391 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.3 mt -59.72 -44.07 93.91 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.551 -0.737 . . . . 0.0 111.926 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -51.1 -56.04 14.65 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 173.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -60.69 -40.4 92.04 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 tp -63.44 -44.01 95.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.306 1.042 . . . . 0.0 111.94 173.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.9 97.82 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 121.368 -0.833 . . . . 0.0 112.504 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.97 -31.57 72.71 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.05 0.925 . . . . 0.0 112.583 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -66.98 -51.19 58.17 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 171.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.37 -40.51 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.918 1.287 . . . . 0.0 111.199 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.2 ttm -62.12 -56.67 16.49 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.251 1.42 . . . . 0.0 112.086 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -65.8 -33.69 76.43 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -77.83 -14.52 59.55 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.025 1.73 . . . . 0.0 113.846 172.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 52.88 45.27 29.1 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.591 2.356 . . . . 0.0 113.464 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.54 -10.07 59.19 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -62.63 148.88 44.97 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -67.82 129.84 41.14 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.17 -0.956 . . . . 0.0 112.106 167.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -59.49 -29.83 68.12 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.133 -0.979 . . . . 0.0 113.132 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -81.42 -62.34 1.68 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.057 0.943 . . . . 0.0 110.741 173.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -99.75 81.48 2.47 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.216 1.406 . . . . 0.0 110.487 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -66.94 -14.52 62.9 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.939 -1.101 . . . . 0.0 113.705 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -75.94 0.59 17.85 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.544 1.138 . . . . 0.0 113.185 169.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.8 mt -119.13 132.62 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.541 1.936 . . . . 0.0 110.103 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.6 t -110.54 127.57 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 126.114 1.766 . . . . 0.0 110.873 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.278 58.2 m-85 -98.09 71.42 2.13 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.673 1.989 . . . . 0.0 115.599 178.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.2 p -67.76 -4.02 11.15 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t -46.22 131.0 10.49 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.937 1.695 . . . . 0.0 113.751 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 59.92 0.12 0.25 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.22 168.56 13.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.632 1.173 . . . . 0.0 111.824 171.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.4 tp -51.04 -42.32 60.4 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.382 1.073 . . . . 0.0 111.236 168.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.42 -33.96 75.82 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.14 -29.49 73.0 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 123.701 0.667 . . . . 0.0 113.479 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.78 -28.31 62.52 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 171.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.15 -57.66 3.74 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.931 0.892 . . . . 0.0 111.875 170.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.302 23.9 m-85 -68.49 -25.53 65.02 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 117.458 2.392 . . . . 0.0 117.458 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.15 18.76 78.16 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.091 0.853 . . . . 0.0 114.82 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.44 155.66 69.85 Favored Pre-proline 0 N--CA 1.479 0.98 0 C-N-CA 125.902 1.681 . . . . 0.0 109.936 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.85 -26.04 22.9 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.119 2.546 . . . . 0.0 113.305 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.7 p -160.87 161.94 31.98 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.568 1.147 . . . . 0.0 112.804 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -150.76 157.25 42.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.822 1.249 . . . . 0.0 107.846 172.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.5 p -99.56 135.8 40.44 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.255 -0.903 . . . . 0.0 112.105 172.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.94 -30.28 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.348 1.059 . . . . 0.0 113.168 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -61.43 -32.15 72.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.147 1.379 . . . . 0.0 112.649 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -81.38 71.23 8.38 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 124.037 1.875 . . . . 0.0 112.585 170.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -56.61 -48.19 78.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.58 -2.1 . . . . 0.0 111.284 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -57.27 -38.32 73.71 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.799 1.64 . . . . 0.0 113.413 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -68.72 -40.65 79.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.375 1.07 . . . . 0.0 110.888 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.59 -52.04 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 119.239 -0.41 . . . . 0.0 110.414 171.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -53.45 -44.52 68.96 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.254 1.2 t -63.91 -36.41 83.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 173.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 76.9 mtm -71.32 -40.0 71.04 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.492 -0.755 . . . . 0.0 112.7 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.2 mmm -65.31 -33.86 76.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.312 1.045 . . . . 0.0 112.122 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.25 85.26 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.312 0.645 . . . . 0.0 111.998 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.5 m -66.93 -19.16 65.68 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 40.7 mtt -83.97 -5.31 59.2 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.26 1.0 OUTLIER . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 118.74 2.866 . . . . 0.0 118.74 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -66.06 -39.33 90.0 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -168.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -65.82 -13.17 58.99 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -86.54 -46.76 9.85 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 167.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -67.02 -31.02 71.28 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.229 1.012 . . . . 0.0 112.189 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.78 -29.96 63.16 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.123 -0.985 . . . . 0.0 112.487 172.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -70.98 -24.57 62.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.432 1.093 . . . . 0.0 113.076 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.05 -50.13 67.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.336 0.516 . . . . 0.0 111.372 169.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.5 ptp -73.23 -30.55 63.56 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.437 0.562 . . . . 0.0 111.873 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 N--CA 1.473 0.704 0 C-N-CA 124.589 1.156 . . . . 0.0 111.678 171.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.424 HG23 ' HD3' ' A' ' 36' ' ' PRO . 2.6 m -133.86 158.87 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 127.723 2.409 . . . . 0.0 111.746 169.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.72 92.98 26.52 Favored Pre-proline 0 N--CA 1.472 0.641 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 169.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' HG23 ' A' ' 34' ' ' VAL . 55.4 Cg_endo -69.31 173.31 10.76 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.319 2.679 . . . . 0.0 113.972 -173.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 19.0 ptpt -60.65 150.92 73.59 Favored Pre-proline 0 N--CA 1.481 1.086 0 C-N-CA 124.181 0.992 . . . . 0.0 111.934 173.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -63.85 -28.33 67.48 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.936 2.424 . . . . 0.0 114.144 -175.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.92 -35.01 77.14 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.815 0.734 . . . . 0.0 112.197 171.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 tp -76.31 -43.45 41.28 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 122.863 0.465 . . . . 0.0 110.441 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.81 -42.99 76.47 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.388 0.54 . . . . 0.0 111.864 172.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -57.83 -42.68 84.85 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.146 0.978 . . . . 0.0 112.52 171.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.96 -42.2 85.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.144 0.978 . . . . 0.0 111.701 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.2 mt -64.44 -41.96 96.26 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.417 1.087 . . . . 0.0 110.498 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.64 -22.78 62.47 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.9 m -64.19 -20.24 65.88 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.9 m -110.52 15.62 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.916 1.686 . . . . 0.0 113.232 168.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.93 29.31 34.94 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.042 1.306 . . . . 0.0 115.893 168.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.51 138.08 53.05 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.203 1.501 . . . . 0.0 111.214 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -102.08 -13.03 17.67 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 116.272 1.952 . . . . 0.0 116.272 -167.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -91.94 163.01 14.17 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.528 1.131 . . . . 0.0 112.806 -169.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -97.61 -5.03 36.38 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.967 1.707 . . . . 0.0 115.35 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -152.37 150.13 29.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.42 1.888 . . . . 0.0 106.104 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.39 149.77 43.06 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -171.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.255 0.7 OUTLIER -77.1 155.14 32.63 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 166.128 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 84.2 mmm -59.12 -34.05 71.58 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.78 -1.2 . . . . 0.0 112.464 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -73.8 -35.24 64.88 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.863 0.865 . . . . 0.0 112.789 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -62.46 -43.96 97.55 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.113 0.87 . . . . 0.0 112.397 169.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.58 -50.76 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.859 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -55.16 -45.23 75.68 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.415 1.007 . . . . 0.0 111.929 175.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -53.88 -57.37 11.17 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 173.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -63.94 -40.36 96.28 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.97 -42.21 97.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.885 1.274 . . . . 0.0 111.427 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.16 -44.87 97.58 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 123.35 0.5 . . . . 0.0 112.423 173.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -62.89 -32.76 74.09 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.774 1.23 . . . . 0.0 112.545 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -65.88 -54.32 28.12 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 171.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.32 -39.12 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.488 1.115 . . . . 0.0 111.14 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.9 ttm -61.9 -57.42 11.82 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.582 1.553 . . . . 0.0 112.03 173.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.33 -35.18 79.72 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -74.8 -14.25 60.67 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.798 1.639 . . . . 0.0 113.367 172.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 53.16 45.81 27.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.105 2.162 . . . . 0.0 113.641 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.1 mt -78.11 -5.19 50.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.49 1.116 . . . . 0.0 113.982 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -69.32 147.5 51.04 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -64.28 133.67 53.19 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -66.81 -26.97 67.19 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.146 -0.971 . . . . 0.0 113.243 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -84.0 -54.54 4.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.914 1.286 . . . . 0.0 111.56 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.12 100.39 9.94 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.837 1.255 . . . . 0.0 111.385 172.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -60.3 -21.79 62.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.836 0.854 . . . . 0.0 113.25 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -87.32 -2.38 58.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.881 1.673 . . . . 0.0 113.998 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.96 135.71 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 119.956 1.253 . . . . 0.0 109.841 174.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 p -114.98 135.46 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.211 1.404 . . . . 0.0 110.361 176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.256 46.0 m-85 -99.53 97.54 8.53 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.162 1.785 . . . . 0.0 115.05 174.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.5 m -77.65 -21.51 52.06 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.181 1.393 . . . . 0.0 112.409 -176.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.0 p -58.89 150.69 23.53 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.954 1.301 . . . . 0.0 113.543 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 59.14 17.34 5.52 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.96 1.704 . . . . 0.0 115.114 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -137.37 165.76 25.45 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.571 1.548 . . . . 0.0 112.162 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.1 tp -49.37 -36.58 22.04 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.301 1.44 . . . . 0.0 112.204 169.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.0 tp -55.03 -35.18 64.17 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.16 -32.52 84.21 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.048 0.833 . . . . 0.0 113.57 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.01 -26.12 61.21 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.83 -60.44 2.23 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.811 0.845 . . . . 0.0 111.302 169.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.284 44.2 m-85 -74.74 -24.0 58.65 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 118.54 2.792 . . . . 0.0 118.54 -173.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.86 15.91 74.17 Favored Glycine 0 CA--C 1.54 1.626 0 N-CA-C 114.79 0.676 . . . . 0.0 114.79 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.44 153.9 74.87 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 126.28 1.832 . . . . 0.0 109.011 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.47 -28.07 22.3 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.223 2.615 . . . . 0.0 113.334 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.2 p -166.09 162.7 17.96 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.253 1.421 . . . . 0.0 112.185 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -154.76 159.23 40.51 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.224 0.61 . . . . 0.0 111.977 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.9 t -87.15 125.8 34.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.518 0.727 . . . . 0.0 110.415 168.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.0 -22.84 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.952 1.701 . . . . 0.0 112.386 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -69.42 -12.88 62.03 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 171.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -77.1 49.76 0.7 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.739 1.215 . . . . 0.0 111.588 173.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -53.27 -43.59 67.57 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.708 1.203 . . . . 0.0 112.692 -169.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -58.93 -34.61 71.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.478 1.111 . . . . 0.0 113.806 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -75.58 -45.99 34.49 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.37 1.068 . . . . 0.0 110.763 173.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.47 -42.83 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.278 0.631 . . . . 0.0 110.831 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -57.57 -44.9 85.65 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.311 1.0 OUTLIER -67.34 -34.91 78.31 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 173.293 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.1 mtm -65.8 -40.07 91.56 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.225 -0.922 . . . . 0.0 112.378 170.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.5 mmm -65.34 -40.83 94.16 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.102 0.961 . . . . 0.0 111.892 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.22 81.64 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.602 0.761 . . . . 0.0 112.542 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.2 t -60.92 -34.83 75.29 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.089 -1.007 . . . . 0.0 112.637 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.4 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 35.1 mtt -69.08 -9.69 53.87 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -179.311 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 118.648 2.833 . . . . 0.0 118.648 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -61.42 -30.36 70.52 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.52 -19.63 65.83 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.108 -0.995 . . . . 0.0 113.299 176.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -87.43 -43.43 12.09 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 167.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -65.68 -34.48 78.3 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.497 1.119 . . . . 0.0 112.042 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.14 -32.91 64.7 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.195 0.998 . . . . 0.0 112.69 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -72.38 -20.26 61.48 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.593 1.157 . . . . 0.0 112.877 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.58 -47.07 80.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.229 0.468 . . . . 0.0 110.347 168.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 19.0 mtm -76.88 -35.71 57.24 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.323 0.649 . . . . 0.0 111.973 -174.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 N--CA 1.476 0.837 0 C-N-CA 124.422 1.089 . . . . 0.0 113.468 169.341 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.8 -21.44 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -175.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 51.79 83.29 0.23 Allowed Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 127.513 2.325 . . . . 0.0 112.713 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.63 163.2 33.83 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.83 2.353 . . . . 0.0 113.262 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -54.14 142.12 48.38 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.831 2.052 . . . . 0.0 111.576 172.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -55.4 -34.1 87.92 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.102 2.535 . . . . 0.0 114.963 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.4 -34.36 77.78 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.84 0.856 . . . . 0.0 112.874 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.4 tp -74.44 -42.85 58.41 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.14 0.976 . . . . 0.0 110.912 172.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.64 HD11 ' HE2' ' A' ' 45' ' ' LYS . 53.8 tp -56.59 -37.87 71.23 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.6 0.76 . . . . 0.0 112.297 174.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -60.25 -36.6 78.15 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.567 1.147 . . . . 0.0 112.956 171.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -47.06 86.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.247 1.019 . . . . 0.0 110.459 173.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.79 -40.69 97.27 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.505 -0.747 . . . . 0.0 111.531 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.64 ' HE2' HD11 ' A' ' 41' ' ' LEU . 57.1 mttm -70.7 -20.73 62.65 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 176.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.0 m -66.42 -17.88 65.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.739 0.815 . . . . 0.0 112.374 168.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.6 m -113.99 15.98 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.153 1.781 . . . . 0.0 113.268 168.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.93 25.24 46.04 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 116.959 1.544 . . . . 0.0 116.959 168.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.0 119.11 10.15 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.418 1.609 . . . . 0.0 111.255 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -75.29 -43.39 51.38 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -167.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -68.84 174.33 4.49 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.815 1.646 . . . . 0.0 113.003 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -112.37 1.54 16.07 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.498 1.919 . . . . 0.0 115.763 169.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -138.29 140.32 39.53 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.1 1.76 . . . . 0.0 106.961 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -143.81 155.58 44.19 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -171.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -85.48 159.79 19.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.519 1.128 . . . . 0.0 114.006 167.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.6 mtp -57.69 -36.79 72.44 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.046 1.294 . . . . 0.0 112.8 176.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.46 -42.31 92.46 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.914 1.286 . . . . 0.0 111.592 172.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.58 -41.66 92.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.252 0.933 . . . . 0.0 113.207 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.71 -51.91 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.858 0.863 . . . . 0.0 109.996 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.1 mt -58.48 -43.83 89.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.476 0.71 . . . . 0.0 111.346 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -52.63 -55.72 20.46 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 175.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -64.16 -38.43 91.03 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 175.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -64.44 -40.78 96.38 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.066 0.946 . . . . 0.0 111.553 173.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.66 -43.34 99.39 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 121.616 -0.677 . . . . 0.0 112.235 172.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -61.39 -33.9 74.44 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.363 1.082 . . . . 0.0 113.273 171.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -67.68 -50.34 58.2 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.8 mt -60.63 -38.58 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.509 1.124 . . . . 0.0 111.13 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 44.2 ttm -61.61 -58.22 8.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.288 1.435 . . . . 0.0 111.966 172.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -64.99 -32.5 74.26 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -177.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -81.72 -14.51 56.43 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.809 1.644 . . . . 0.0 114.232 173.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 51.88 48.4 22.87 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.135 2.174 . . . . 0.0 113.513 -174.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.86 -8.12 56.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -64.49 147.92 51.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 172.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -60.33 130.71 47.99 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 171.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.47 -26.17 65.03 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -87.11 -68.95 0.71 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.714 1.206 . . . . 0.0 111.813 170.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -88.8 99.76 12.62 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.672 0.789 . . . . 0.0 111.402 -177.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -64.67 -19.66 65.85 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.506 -0.746 . . . . 0.0 112.424 -175.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -89.51 10.35 23.16 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.198 1.799 . . . . 0.0 114.223 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.0 mt -126.0 136.2 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.996 1.271 . . . . 0.0 109.906 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.09 139.8 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.919 1.688 . . . . 0.0 112.986 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -122.6 125.92 46.65 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.064 2.146 . . . . 0.0 114.455 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.5 t -158.68 106.44 1.88 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.85 0.86 . . . . 0.0 110.395 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.2 p -121.48 151.45 40.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.563 1.545 . . . . 0.0 111.59 169.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.79 25.63 8.6 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.728 1.611 . . . . 0.0 115.214 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -143.65 168.68 19.31 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.721 1.608 . . . . 0.0 108.754 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.1 tp -50.06 -51.05 45.63 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.66 1.584 . . . . 0.0 114.742 -168.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.51 -34.03 77.31 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.267 0.94 . . . . 0.0 113.444 -175.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.77 -33.79 86.44 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 123.598 0.618 . . . . 0.0 112.848 171.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -71.79 -30.46 65.56 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 171.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.25 -56.87 6.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.394 0.677 . . . . 0.0 111.662 169.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.281 32.6 m-85 -69.17 -26.05 64.66 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 117.526 2.417 . . . . 0.0 117.526 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.36 16.18 77.24 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.905 0.764 . . . . 0.0 114.431 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.68 151.09 62.3 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 126.236 1.814 . . . . 0.0 109.16 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.8 -22.11 24.06 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.557 2.838 . . . . 0.0 113.314 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.3 p -161.05 160.92 31.09 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.931 1.292 . . . . 0.0 112.879 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -157.22 155.95 31.74 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.165 0.986 . . . . 0.0 110.471 173.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -87.33 128.43 35.18 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.125 0.97 . . . . 0.0 112.167 170.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.81 -37.23 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.627 1.571 . . . . 0.0 112.514 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.33 -24.87 62.19 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.544 1.138 . . . . 0.0 113.024 -178.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -77.7 56.5 1.49 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.221 1.408 . . . . 0.0 111.514 172.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -49.98 -40.35 43.85 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.398 1.479 . . . . 0.0 114.293 -168.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -50.42 -42.35 53.71 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.299 1.44 . . . . 0.0 114.132 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -73.28 -31.11 63.87 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.569 1.148 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.7 mt -72.11 -45.97 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.825 -0.547 . . . . 0.0 110.821 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -56.12 -46.33 79.2 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.4 t -61.63 -38.05 86.22 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 174.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 74.2 mtm -72.73 -43.23 63.21 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.335 0.654 . . . . 0.0 112.037 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.1 mmm -63.41 -40.22 96.61 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.956 0.902 . . . . 0.0 111.728 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.23 86.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.037 0.535 . . . . 0.0 111.919 173.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.5 m -70.76 -11.56 61.02 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 40.0 mtt -84.84 -4.18 58.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.241 1.016 . . . . 0.0 113.699 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.251 1.1 p . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -176.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -63.97 -27.07 68.88 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -65.98 -36.18 82.62 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.011 -1.056 . . . . 0.0 111.697 173.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -68.0 -40.02 83.1 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 168.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -73.42 -36.59 66.0 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.972 0.509 . . . . 0.0 112.057 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 19.4 tp -59.85 -31.26 69.6 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.459 -1.401 . . . . 0.0 112.182 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -67.38 -18.68 65.23 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.609 1.563 . . . . 0.0 112.884 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.4 mt -75.32 -49.59 18.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.394 1.078 . . . . 0.0 111.727 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.2 ptp -72.04 -23.57 61.4 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.825 0.739 . . . . 0.0 111.926 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 . . . . . 0 CA--C 1.546 0.82 0 C-N-CA 125.962 1.705 . . . . 0.0 111.487 167.442 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 121.521 0.676 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.7 m -126.81 159.42 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 127.459 2.304 . . . . 0.0 112.281 169.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.97 90.86 5.71 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 124.663 1.185 . . . . 0.0 110.078 172.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.56 145.62 87.67 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.685 2.256 . . . . 0.0 111.857 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 15.7 ptpt -61.87 157.71 48.16 Favored Pre-proline 0 N--CA 1.479 1.014 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.925 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -54.67 -37.44 91.32 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.127 2.551 . . . . 0.0 115.255 -172.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.31 -44.14 97.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.574 0.749 . . . . 0.0 112.216 175.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.1 tp -70.35 -46.38 64.24 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 123.499 0.72 . . . . 0.0 110.157 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.568 HD11 ' HE2' ' A' ' 45' ' ' LYS . 44.2 tp -56.68 -42.27 78.75 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.819 -0.55 . . . . 0.0 112.098 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -62.0 -39.26 91.62 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.0 112.823 171.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.93 -42.94 94.25 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.103 0.961 . . . . 0.0 111.485 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.87 -46.16 86.19 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.546 1.138 . . . . 0.0 110.671 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.568 ' HE2' HD11 ' A' ' 41' ' ' LEU . 44.4 mttm -66.59 -22.99 66.13 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.5 m -64.03 -19.2 65.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.967 0.803 . . . . 0.0 113.127 170.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.7 m -113.41 19.8 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.805 1.642 . . . . 0.0 112.911 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.02 34.78 32.56 Favored Glycine 0 CA--C 1.532 1.141 0 N-CA-C 116.031 1.172 . . . . 0.0 116.031 168.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.33 -21.24 64.76 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 118.966 1.383 . . . . 0.0 114.077 -177.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 65.71 -47.4 0.39 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 129.222 3.009 . . . . 0.0 117.769 170.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -69.12 173.06 5.92 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.151 1.38 . . . . 0.0 113.714 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -101.66 -10.11 20.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.708 1.603 . . . . 0.0 114.659 169.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -146.4 143.85 29.33 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.998 1.719 . . . . 0.0 106.984 -171.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -147.56 154.9 41.29 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -168.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -76.42 157.22 32.47 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 165.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.8 mmm -60.53 -30.72 69.92 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.488 -1.382 . . . . 0.0 112.946 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -66.32 -44.36 83.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.608 1.163 . . . . 0.0 111.224 173.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.57 -42.57 95.54 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.187 0.995 . . . . 0.0 112.765 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.13 -49.77 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 118.568 -0.729 . . . . 0.0 109.46 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.4 mt -60.04 -43.28 95.45 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.27 0.941 . . . . 0.0 111.756 176.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.87 -56.7 17.44 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -65.55 -38.73 90.44 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.69 -45.71 92.82 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.305 1.042 . . . . 0.0 111.174 173.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.02 99.98 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 123.624 0.63 . . . . 0.0 113.271 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -64.95 -32.97 74.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.934 1.294 . . . . 0.0 112.51 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -65.91 -50.47 64.35 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 170.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.68 -39.92 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.756 1.222 . . . . 0.0 111.099 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.8 ttm -62.95 -58.74 6.32 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.707 1.603 . . . . 0.0 112.073 173.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.35 -33.36 75.56 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -174.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.17 -1.03 42.98 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.208 1.403 . . . . 0.0 113.785 171.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 53.07 38.4 27.27 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 127.598 2.359 . . . . 0.0 113.339 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.4 mt -71.19 -10.35 59.6 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -172.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -66.88 146.96 53.85 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 169.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -66.62 130.85 44.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 -59.18 -26.92 65.21 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -84.05 -65.14 1.04 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.362 1.065 . . . . 0.0 111.39 172.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -99.86 88.14 3.7 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.223 1.009 . . . . 0.0 110.655 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -67.17 -11.51 57.52 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -82.53 -0.19 45.48 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.123 1.369 . . . . 0.0 113.634 169.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.0 mt -111.83 126.0 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.418 1.487 . . . . 0.0 109.661 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.1 t -97.29 131.59 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.591 1.556 . . . . 0.0 109.71 175.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -98.62 134.34 41.69 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.71 1.604 . . . . 0.0 114.043 168.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.1 p -145.3 18.85 1.56 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -169.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 p -59.3 105.39 0.34 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.687 1.195 . . . . 0.0 113.315 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.27 0.9 OUTLIER 53.36 13.79 0.47 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 128.919 2.888 . . . . 0.0 117.734 176.25 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.312 11.3 p30 -99.27 59.37 1.13 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.87 1.668 . . . . 0.0 114.662 175.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.8 tp 62.86 -53.38 0.17 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 128.859 2.864 . . . . 0.0 114.727 -172.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.11 -34.0 74.27 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -172.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.71 -24.97 74.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 121.523 -0.736 . . . . 0.0 114.201 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -71.15 -27.98 63.94 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.736 1.268 . . . . 0.0 113.871 170.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.34 -59.46 2.77 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.175 0.99 . . . . 0.0 112.077 169.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.314 32.5 m-85 -69.26 -21.64 63.89 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.39 16.68 80.47 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.366 0.984 . . . . 0.0 114.906 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 m -143.26 154.96 61.51 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 125.789 1.636 . . . . 0.0 110.164 -175.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.88 -21.26 16.34 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.833 3.022 . . . . 0.0 113.63 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.9 p -164.61 161.75 21.15 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.59 1.556 . . . . 0.0 111.865 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -155.33 154.7 32.46 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.018 0.927 . . . . 0.0 111.164 172.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.6 t -87.13 127.79 35.13 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.591 -0.693 . . . . 0.0 111.351 169.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.22 -22.69 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.793 1.637 . . . . 0.0 112.815 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.93 -22.69 66.95 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.314 1.446 . . . . 0.0 113.831 173.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -81.9 52.29 1.92 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.302 1.441 . . . . 0.0 111.961 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -50.71 -46.65 59.04 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.623 1.569 . . . . 0.0 114.514 -169.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -69.17 -30.06 68.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -72.8 -44.74 61.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.415 0.686 . . . . 0.0 110.384 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.9 mt -56.98 -46.44 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.382 174.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -49.67 -50.67 42.62 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.29 1.0 OUTLIER -67.12 -38.02 84.88 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.308 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.7 mtm -67.26 -38.35 84.99 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.597 -0.69 . . . . 0.0 112.001 174.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -80.21 -30.73 38.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.574 1.15 . . . . 0.0 112.212 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.15 77.36 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.137 -0.977 . . . . 0.0 111.381 169.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.2 m -67.68 -5.44 15.88 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 173.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.416 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 44.8 mtt -89.61 -13.8 36.38 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.399 1.079 . . . . 0.0 113.557 170.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -172.201 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 19.2 t80 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -66.31 -27.93 68.29 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.16 -36.63 84.84 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.957 -1.089 . . . . 0.0 112.075 173.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -69.94 -41.16 74.94 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -71.88 -35.24 69.7 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.902 0.881 . . . . 0.0 111.941 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 17.3 tp -62.07 -30.63 71.13 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.647 -1.283 . . . . 0.0 112.181 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -68.29 -16.3 63.9 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.623 1.169 . . . . 0.0 113.178 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.31 -56.78 5.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.345 0.658 . . . . 0.0 109.896 167.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.2 ptp -71.95 -24.0 61.54 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -174.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 125.69 1.596 . . . . 0.0 113.617 173.17 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 CA--C 1.541 0.617 0 CA-C-O 120.721 0.296 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 m -106.54 -24.68 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 47.02 74.36 0.83 Allowed Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.211 2.204 . . . . 0.0 112.754 -172.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.38 170.1 20.71 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.164 2.576 . . . . 0.0 112.99 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -58.5 148.93 63.49 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 123.931 0.892 . . . . 0.0 112.219 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -62.6 -25.77 75.56 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.029 2.486 . . . . 0.0 113.582 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 tp -61.12 -35.74 77.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.921 0.888 . . . . 0.0 112.264 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -77.26 -41.06 42.49 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.154 0.582 . . . . 0.0 111.714 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.3 tp -53.93 -40.28 66.62 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.978 0.511 . . . . 0.0 111.537 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.52 -40.56 91.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.898 0.879 . . . . 0.0 113.078 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.68 -43.71 92.67 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.02 0.928 . . . . 0.0 111.987 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.79 -42.24 95.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.53 0.732 . . . . 0.0 110.501 177.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -70.12 -21.25 63.13 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.609 -1.307 . . . . 0.0 114.41 176.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.6 m -64.36 -21.07 66.5 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.951 0.796 . . . . 0.0 112.842 169.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 m -108.43 15.69 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 125.841 1.657 . . . . 0.0 113.335 168.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.25 33.49 39.84 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.845 1.212 . . . . 0.0 114.78 170.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.49 135.9 54.9 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 118.67 1.235 . . . . 0.0 110.681 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -83.46 -3.66 57.8 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.249 2.685 . . . . 0.0 118.249 -165.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -130.37 175.57 8.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.381 1.472 . . . . 0.0 113.714 -169.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -107.2 -1.02 22.27 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.225 1.81 . . . . 0.0 115.293 168.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 p -143.4 144.22 31.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.524 1.93 . . . . 0.0 107.038 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -145.36 157.48 44.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.909 1.284 . . . . 0.0 113.981 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -83.47 161.13 21.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.441 1.096 . . . . 0.0 113.714 167.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 29.5 mtp -58.4 -35.58 72.24 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.789 -1.194 . . . . 0.0 112.801 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -65.09 -45.53 84.83 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.493 1.117 . . . . 0.0 111.283 174.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.9 -41.27 95.73 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.106 0.962 . . . . 0.0 112.911 177.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.34 -48.13 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.425 -0.798 . . . . 0.0 109.642 175.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.3 mt -58.31 -45.59 87.72 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.644 1.111 . . . . 0.0 111.303 175.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -53.82 -52.6 59.84 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 116.307 1.965 . . . . 0.0 116.307 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -71.96 -34.6 69.12 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.8 tp -65.24 -41.57 94.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.185 0.994 . . . . 0.0 111.569 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.1 99.74 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 121.614 -0.679 . . . . 0.0 112.621 172.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -62.07 -35.67 79.35 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.129 0.964 . . . . 0.0 113.329 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -66.21 -48.28 71.12 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.519 0.6 . . . . 0.0 112.405 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.7 mt -60.2 -38.64 78.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.262 1.025 . . . . 0.0 111.433 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.9 mtm -63.6 -56.49 15.48 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 172.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -63.13 -32.53 73.94 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -80.73 -17.94 49.42 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.79 1.636 . . . . 0.0 114.467 173.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 50.96 49.83 20.35 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.013 2.125 . . . . 0.0 113.296 -172.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.9 mt -73.79 -10.38 59.61 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -66.68 151.51 47.24 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 173.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.69 134.21 53.75 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 170.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -65.43 -27.86 68.82 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -81.42 -45.19 16.42 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.177 0.991 . . . . 0.0 111.587 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -129.67 100.28 5.45 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.126 1.37 . . . . 0.0 112.722 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -66.12 -15.7 63.33 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -73.94 -2.63 24.81 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 172.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.7 mt -116.82 135.16 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.642 1.577 . . . . 0.0 109.632 177.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.78 134.64 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.72 1.608 . . . . 0.0 110.538 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.277 65.1 m-85 -109.71 65.1 0.61 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 127.248 2.219 . . . . 0.0 115.374 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 p -70.88 -0.86 10.06 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 -172.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.4 t -51.82 143.7 12.71 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.316 1.846 . . . . 0.0 114.819 -175.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 56.08 26.74 10.46 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.459 1.904 . . . . 0.0 115.029 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -143.46 173.45 11.62 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.95 1.3 . . . . 0.0 108.624 -178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.3 tp -54.74 -40.52 69.4 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.571 1.548 . . . . 0.0 113.466 -172.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.33 -35.98 76.48 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 178.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.44 -36.02 92.08 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 121.65 -0.656 . . . . 0.0 112.346 173.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.77 -31.0 71.35 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 170.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.8 mt -75.75 -58.0 3.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.967 1.307 . . . . 0.0 112.637 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -70.21 -21.07 63.06 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.49 20.91 76.21 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.484 1.04 . . . . 0.0 114.774 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.37 153.4 65.97 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 125.323 1.449 . . . . 0.0 110.732 -176.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -73.34 -26.42 14.47 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.512 2.808 . . . . 0.0 113.454 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.9 p -162.2 160.35 26.93 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.807 1.243 . . . . 0.0 112.186 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -157.19 157.68 34.83 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.255 1.022 . . . . 0.0 109.904 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -91.63 130.36 37.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.946 0.898 . . . . 0.0 111.367 169.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.69 -26.74 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.566 1.146 . . . . 0.0 112.478 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -70.3 -16.24 62.99 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.49 1.116 . . . . 0.0 113.263 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -77.03 52.29 0.87 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.624 -1.297 . . . . 0.0 111.612 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -53.07 -45.78 68.28 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.315 1.446 . . . . 0.0 112.637 -171.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 ttm105 -58.78 -38.55 78.77 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.155 1.382 . . . . 0.0 112.972 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -69.24 -47.94 63.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.205 1.002 . . . . 0.0 110.906 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.9 mt -56.63 -45.99 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.256 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -57.33 -40.92 78.97 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.301 1.0 OUTLIER -73.9 -38.97 64.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 175.581 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 59.9 mtm -64.74 -36.66 85.03 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.353 -0.842 . . . . 0.0 112.158 172.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -34.8 57.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.266 1.026 . . . . 0.0 111.543 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.9 73.12 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.215 -0.928 . . . . 0.0 112.783 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.1 m -63.54 -14.63 53.15 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 55.8 mtt -77.94 -4.85 48.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.705 1.202 . . . . 0.0 114.004 173.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.372 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -174.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 98.3 mmm . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 119.009 -0.52 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -67.91 160.04 50.24 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.428 2.752 . . . . 0.0 112.729 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -128.21 2.56 5.78 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -45.0 -49.16 11.42 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 117.376 2.361 . . . . 0.0 117.376 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -66.19 -28.57 68.86 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -64.49 -35.41 80.86 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.217 -0.927 . . . . 0.0 111.365 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -71.14 -43.37 67.71 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 169.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -66.28 -35.49 80.52 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.05 0.94 . . . . 0.0 111.655 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 39.1 tp -58.55 -32.31 68.77 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.042 -1.036 . . . . 0.0 112.539 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -72.4 -17.0 61.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.208 1.003 . . . . 0.0 113.553 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.69 -46.64 68.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.286 0.948 . . . . 0.0 110.088 167.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.2 mtm -78.27 -39.97 38.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.301 0.64 . . . . 0.0 111.341 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -90.39 41.03 1.03 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.667 1.987 . . . . 0.0 110.7 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -117.23 -127.15 3.87 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.425 1.964 . . . . 0.0 113.415 -172.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.93 -162.48 54.42 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.36 0.981 . . . . 0.0 113.672 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.11 -125.75 36.89 Favored Glycine 0 CA--C 1.532 1.137 0 O-C-N 121.9 -0.765 . . . . 0.0 112.017 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -61.74 -14.99 37.04 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.976 1.31 . . . . 0.0 114.253 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -75.77 -10.84 59.77 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.301 1.041 . . . . 0.0 113.753 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.0 tp -65.2 153.55 40.66 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.849 1.259 . . . . 0.0 112.545 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -58.78 145.74 39.51 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 117.552 2.427 . . . . 0.0 117.552 171.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.3 66.9 m-85 -109.22 -2.86 17.67 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 117.607 2.447 . . . . 0.0 117.607 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -142.97 163.34 33.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.794 2.037 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.86 -110.34 3.03 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 123.837 0.732 . . . . 0.0 112.188 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 53.0 mtt -65.3 150.36 48.39 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.995 0.918 . . . . 0.0 113.048 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.9 p -76.21 163.58 26.92 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.808 1.243 . . . . 0.0 112.853 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.59 129.97 81.21 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.469 1.108 . . . . 0.0 110.825 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -66.15 142.12 66.12 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.037 2.492 . . . . 0.0 113.202 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.63 152.39 42.3 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.99 151.51 21.87 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 169.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.39 -134.37 1.73 Allowed Glycine 0 CA--C 1.532 1.118 0 C-N-CA 123.539 0.59 . . . . 0.0 113.966 -173.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 57.24 -91.54 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.481 2.312 . . . . 0.0 113.964 -173.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.329 0.6 OUTLIER 55.93 26.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -170.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 p -79.04 159.73 27.45 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.79 2.036 . . . . 0.0 109.225 -174.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 t -63.84 157.5 24.42 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 t -149.03 27.31 0.86 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.519 1.527 . . . . 0.0 111.845 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -69.38 -15.35 63.29 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -143.33 153.04 58.83 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 126.567 1.947 . . . . 0.0 110.599 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.35 -12.9 37.5 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.295 2.664 . . . . 0.0 114.434 -174.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.58 -14.23 62.41 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.1 m -63.74 134.72 55.84 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.198 0.908 . . . . 0.0 113.246 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -148.41 -6.67 0.41 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.911 1.684 . . . . 0.0 112.987 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -69.45 157.33 37.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.605 1.962 . . . . 0.0 114.102 -171.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -144.52 -169.21 3.1 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.087 2.155 . . . . 0.0 109.91 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.15 130.94 23.32 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.734 2.124 . . . . 0.0 116.734 177.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.6 mt -80.56 149.11 30.07 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.95 0.9 . . . . 0.0 112.343 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 113' ' ' THR . 1.4 m -133.88 163.99 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 127.319 2.247 . . . . 0.0 113.147 177.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.3 87.25 3.91 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 125.128 1.371 . . . . 0.0 112.225 173.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -66.11 148.13 84.89 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.719 2.28 . . . . 0.0 112.637 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -50.69 150.22 5.24 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 124.788 1.235 . . . . 0.0 113.149 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -56.16 -34.96 94.55 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.08 2.52 . . . . 0.0 113.638 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.11 -35.99 80.38 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.739 1.216 . . . . 0.0 112.557 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 tp -79.39 -41.1 28.5 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.877 0.871 . . . . 0.0 111.78 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.8 tp -55.93 -39.95 72.41 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.806 0.842 . . . . 0.0 111.807 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -55.85 -43.98 77.59 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.333 1.053 . . . . 0.0 112.604 169.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tt -67.22 -43.77 81.19 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.074 0.95 . . . . 0.0 111.866 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.71 -42.49 97.34 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.706 0.802 . . . . 0.0 110.616 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -72.24 -22.63 61.21 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.786 -1.196 . . . . 0.0 114.18 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -64.73 -22.93 67.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.653 0.781 . . . . 0.0 112.828 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.9 m -105.67 13.05 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.738 1.615 . . . . 0.0 113.35 168.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.74 29.88 30.99 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.967 1.27 . . . . 0.0 115.851 169.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.92 134.52 49.67 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 119.12 1.46 . . . . 0.0 111.434 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.59 -41.38 14.33 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -168.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -77.79 175.63 9.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.067 1.347 . . . . 0.0 114.228 -169.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -109.52 -23.79 11.32 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.142 1.777 . . . . 0.0 114.82 167.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 147.43 39.73 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.695 1.998 . . . . 0.0 106.326 169.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -140.15 151.36 45.22 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -75.49 155.42 36.2 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 165.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.49 -38.02 76.77 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.864 -1.147 . . . . 0.0 112.307 173.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -67.69 -37.21 81.98 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.72 -46.01 90.09 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.871 1.214 . . . . 0.0 112.805 172.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.0 -51.03 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 122.947 0.499 . . . . 0.0 110.263 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.4 mt -58.51 -43.81 89.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.187 0.595 . . . . 0.0 112.087 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -54.58 -56.63 16.93 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -63.03 -39.99 96.4 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.42 -41.48 98.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.941 0.896 . . . . 0.0 111.57 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.72 -42.93 99.82 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.843 0.735 . . . . 0.0 112.55 172.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.09 -34.08 74.37 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.623 1.212 . . . . 0.0 113.316 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -68.73 -49.24 60.38 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.882 0.765 . . . . 0.0 111.98 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.4 mt -57.84 -42.23 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.413 1.085 . . . . 0.0 110.952 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 33.2 ttm -59.99 -56.21 24.51 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.83 1.652 . . . . 0.0 111.868 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.23 -35.32 80.12 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -76.8 -12.18 59.94 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.382 1.473 . . . . 0.0 114.374 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 54.53 43.06 30.87 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.058 1.743 . . . . 0.0 113.68 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.9 mt -76.77 -13.19 60.04 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -66.72 147.35 53.37 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -65.45 130.99 45.27 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.446 -0.784 . . . . 0.0 112.548 169.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -59.99 -30.76 69.34 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.282 -0.886 . . . . 0.0 112.748 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -83.15 -64.64 1.13 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.397 1.079 . . . . 0.0 111.375 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -88.2 84.45 6.89 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.045 0.938 . . . . 0.0 110.474 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -60.02 -21.43 61.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.736 1.215 . . . . 0.0 113.203 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -87.37 5.36 39.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.806 1.643 . . . . 0.0 114.39 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.2 mt -121.77 127.11 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.249 1.386 . . . . 0.0 110.398 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.28 137.68 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.854 1.661 . . . . 0.0 110.204 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -123.2 125.84 45.85 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.492 1.917 . . . . 0.0 113.108 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 33.5 t -159.61 108.99 1.84 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.773 0.829 . . . . 0.0 109.637 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.8 p -120.2 148.4 43.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.197 1.399 . . . . 0.0 111.896 170.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 55.43 25.5 7.78 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.002 1.721 . . . . 0.0 115.231 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -142.65 167.12 22.84 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.758 1.623 . . . . 0.0 110.368 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.1 tp -50.1 -45.42 52.72 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.276 1.83 . . . . 0.0 115.686 -167.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.85 -32.39 69.39 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.351 -0.843 . . . . 0.0 113.077 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.67 -39.48 77.72 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 123.97 0.795 . . . . 0.0 112.348 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.67 -32.61 74.14 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.8 mt -69.2 -60.59 2.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.981 1.312 . . . . 0.0 111.902 169.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.289 41.3 m-85 -67.17 -23.18 65.74 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 118.011 2.597 . . . . 0.0 118.011 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.51 16.4 77.54 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 123.973 0.797 . . . . 0.0 114.38 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.71 151.25 65.63 Favored Pre-proline 0 N--CA 1.476 0.873 0 C-N-CA 126.16 1.784 . . . . 0.0 109.112 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.13 -22.86 25.41 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.567 2.845 . . . . 0.0 113.145 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.6 p -162.07 160.84 27.92 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.395 1.478 . . . . 0.0 112.042 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -154.61 153.26 31.1 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.595 0.758 . . . . 0.0 110.598 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -84.9 128.11 34.47 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.104 0.962 . . . . 0.0 111.765 170.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.19 -24.99 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.213 1.405 . . . . 0.0 112.607 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -69.27 -22.43 63.82 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.234 1.014 . . . . 0.0 113.116 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -80.61 64.11 5.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 124.251 1.976 . . . . 0.0 112.635 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -56.98 -45.42 82.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 112.128 -2.305 . . . . 0.0 111.372 -175.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -54.38 -43.53 71.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.803 1.641 . . . . 0.0 113.516 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -70.39 -44.35 68.19 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.954 0.901 . . . . 0.0 110.849 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.1 mt -60.55 -44.96 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.819 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -57.49 -45.61 84.68 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.268 1.5 t -67.13 -37.35 83.68 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 174.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.5 mtm -65.28 -42.93 92.66 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.172 -0.955 . . . . 0.0 112.319 172.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 95.7 mmm -65.55 -38.79 90.61 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.882 0.873 . . . . 0.0 112.165 176.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.5 -31.77 73.03 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.276 0.63 . . . . 0.0 112.531 173.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.7 t -69.57 -35.08 75.05 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.428 -0.795 . . . . 0.0 112.417 171.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 59.7 mtt -64.32 -28.4 69.68 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.6 -1.312 . . . . 0.0 114.272 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.429 HG21 HG21 ' A' ' 34' ' ' VAL 0.296 2.9 p -90.08 -0.91 57.84 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 174.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -84.04 -179.32 51.81 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.987 1.279 . . . . 0.0 111.925 167.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.07 167.07 6.07 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.886 1.231 . . . . 0.0 115.111 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -71.99 146.8 47.46 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.165 1.386 . . . . 0.0 114.67 -171.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -119.85 65.65 0.81 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.887 2.075 . . . . 0.0 110.991 173.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.6 ttp -73.32 -31.26 63.9 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.309 0 C-N-CA 125.646 1.593 . . . . 0.0 113.369 178.077 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 58.2 ttm . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -68.58 160.01 51.15 Favored 'Trans proline' 0 CA--C 1.538 0.7 0 C-N-CA 123.422 2.748 . . . . 0.0 112.469 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -139.95 152.42 46.33 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.035 1.734 . . . . 0.0 110.745 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -57.31 -49.76 75.08 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 171.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -65.26 -31.79 73.12 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -173.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.9 -35.38 74.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.39 0.676 . . . . 0.0 112.461 175.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -74.42 -42.88 58.43 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -65.7 -30.97 71.73 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.137 0.975 . . . . 0.0 112.21 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.78 -31.34 70.7 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.978 -1.076 . . . . 0.0 112.879 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -65.03 -26.85 68.44 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.506 1.123 . . . . 0.0 113.109 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.6 -52.16 48.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.454 0.702 . . . . 0.0 111.879 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.0 ptp -69.77 -25.07 63.63 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.54 0.609 . . . . 0.0 112.004 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -72.85 3.02 5.7 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.702 1.601 . . . . 0.0 113.958 169.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.26 16.74 77.16 Favored Glycine 0 CA--C 1.536 1.379 0 O-C-N 120.848 -1.158 . . . . 0.0 114.824 175.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.62 19.73 65.24 Favored Glycine 0 CA--C 1.538 1.49 0 CA-C-N 118.468 1.134 . . . . 0.0 114.214 -175.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.08 136.91 37.9 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.701 1.143 . . . . 0.0 113.88 -170.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 62.37 6.31 1.87 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.812 2.045 . . . . 0.0 115.785 -173.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -123.8 1.7 8.76 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.179 1.391 . . . . 0.0 114.198 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.6 mt -69.17 152.0 45.65 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.964 0.905 . . . . 0.0 112.551 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.292 53.2 t80 -64.38 136.73 57.4 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 -174.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.275 9.7 p90 -63.34 132.76 52.58 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 61.64 -47.03 0.14 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 128.474 2.71 . . . . 0.0 116.339 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.16 -2.99 90.71 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.077 1.323 . . . . 0.0 115.818 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 22.9 ttt -142.3 154.78 44.99 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.247 1.419 . . . . 0.0 111.234 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.4 p -145.67 167.52 22.91 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.592 1.557 . . . . 0.0 111.726 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 t -59.47 127.73 85.01 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 124.466 1.106 . . . . 0.0 112.226 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.52 156.81 60.57 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.496 2.798 . . . . 0.0 112.885 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.388 0.2 OUTLIER -121.75 44.72 2.49 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.753 1.761 . . . . 0.0 115.753 175.245 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -63.62 -16.66 61.51 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -169.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.84 -21.78 76.74 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-O 118.89 -0.95 . . . . 0.0 113.974 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 56.88 -10.53 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 128.571 2.748 . . . . 0.0 118.205 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 t -141.67 151.1 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 127.792 2.437 . . . . 0.0 111.036 -172.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -134.72 154.59 51.5 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.279 1.8 t -143.72 18.1 1.82 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.395 1.878 . . . . 0.0 114.089 175.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.4 p -66.06 150.5 48.6 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.258 1.423 . . . . 0.0 114.362 -173.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -158.89 -53.59 0.06 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.471 1.908 . . . . 0.0 108.873 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.3 pt -73.45 170.32 14.57 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 125.792 1.637 . . . . 0.0 109.784 167.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -59.86 -27.56 85.19 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.946 2.43 . . . . 0.0 115.175 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.85 127.44 32.55 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.856 0.863 . . . . 0.0 111.461 170.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -75.13 -28.21 60.1 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -176.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 57.75 24.41 10.66 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.636 1.974 . . . . 0.0 113.565 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -78.0 47.97 0.69 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.893 1.677 . . . . 0.0 113.254 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.47 36.85 0.32 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.247 1.819 . . . . 0.0 113.347 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 133.56 56.21 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 -174.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.7 mt -90.17 153.54 20.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.87 1.268 . . . . 0.0 113.652 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -128.8 162.7 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 128.491 2.716 . . . . 0.0 112.466 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.7 mtm105 -109.05 89.04 6.19 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 124.579 1.152 . . . . 0.0 111.986 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -66.79 150.52 83.35 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.191 1.928 . . . . 0.0 112.632 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -65.04 153.72 88.33 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.318 1.047 . . . . 0.0 112.49 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -55.92 -34.09 90.81 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.157 2.571 . . . . 0.0 114.859 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 tp -65.91 -37.59 86.48 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.805 0.842 . . . . 0.0 112.501 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.418 HD22 ' HB3' ' A' ' 112' ' ' MET . 44.6 tp -72.46 -45.48 59.33 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.193 0.997 . . . . 0.0 110.661 172.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.5 tp -53.13 -43.21 66.77 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.333 0.653 . . . . 0.0 111.961 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -61.4 -40.14 93.28 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.666 0.787 . . . . 0.0 112.874 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 tt -64.88 -40.3 94.89 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.146 0.978 . . . . 0.0 111.812 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.4 mt -66.75 -43.24 84.63 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.854 0.861 . . . . 0.0 110.891 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -64.6 -22.01 66.86 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 173.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.5 m -64.65 -18.53 65.02 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.084 0.856 . . . . 0.0 113.138 171.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.8 m -113.19 16.86 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 126.037 1.735 . . . . 0.0 113.065 168.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.16 31.3 43.06 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.668 1.128 . . . . 0.0 115.61 170.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.36 76.87 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 118.924 1.362 . . . . 0.0 113.507 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 57.47 -21.8 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 169.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -66.78 159.62 27.61 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 121.193 1.815 . . . . 0.0 112.258 175.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -91.01 -6.08 54.47 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 169.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.23 148.35 28.79 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.629 1.972 . . . . 0.0 106.657 -177.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -148.47 154.54 39.99 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -174.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -74.5 156.97 36.32 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.37 -0.831 . . . . 0.0 112.733 165.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mmt -57.23 -36.31 70.75 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.526 -1.359 . . . . 0.0 113.167 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -67.09 -39.47 86.79 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.513 172.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.39 -46.64 89.32 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.799 1.181 . . . . 0.0 112.903 172.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.9 t -60.05 -49.92 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.316 0.507 . . . . 0.0 110.356 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.18 -44.8 92.18 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.61 0.641 . . . . 0.0 112.147 175.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -55.52 -54.06 48.64 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -66.02 -38.3 88.06 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.53 -41.27 98.49 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.25 -0.906 . . . . 0.0 111.631 172.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.72 99.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 121.572 -0.705 . . . . 0.0 112.271 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -61.34 -35.65 78.0 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.319 1.06 . . . . 0.0 113.256 170.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -68.27 -49.14 62.55 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.808 0.731 . . . . 0.0 111.006 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.13 -40.94 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 111.287 175.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.1 ttm -62.24 -52.49 63.52 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.013 1.325 . . . . 0.0 112.253 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -69.42 -38.61 77.97 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -72.7 -14.84 61.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.254 1.422 . . . . 0.0 113.493 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 56.63 42.94 26.34 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.04 2.136 . . . . 0.0 113.033 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.3 mt -77.42 -9.19 58.72 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.699 1.2 . . . . 0.0 114.006 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -63.15 148.6 47.53 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 172.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.55 132.51 50.07 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 171.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -64.69 -27.78 69.15 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -80.79 -47.19 14.24 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.982 0.913 . . . . 0.0 110.905 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -130.44 100.32 5.31 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.97 1.308 . . . . 0.0 112.362 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -67.85 -13.89 62.51 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -176.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -75.18 -2.7 29.04 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.103 0.961 . . . . 0.0 113.481 171.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.6 mt -113.32 134.29 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.727 1.611 . . . . 0.0 109.796 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -109.95 133.64 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.741 1.616 . . . . 0.0 112.541 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.289 52.2 m-85 -106.81 69.7 0.78 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.83 2.052 . . . . 0.0 115.645 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.5 p -69.94 -3.35 15.63 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.0 t -46.97 131.59 12.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.926 1.69 . . . . 0.0 114.252 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 59.8 -0.02 0.23 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -86.37 170.5 11.96 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.114 1.366 . . . . 0.0 111.475 172.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.7 tp -51.42 -44.49 62.28 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.402 1.081 . . . . 0.0 111.282 169.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.02 -32.99 73.53 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.14 -31.16 75.81 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 123.808 0.718 . . . . 0.0 113.45 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -73.37 -29.13 62.43 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 171.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.82 -55.96 5.56 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.855 0.862 . . . . 0.0 112.206 171.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.304 26.4 m-85 -68.79 -26.55 65.25 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 117.591 2.441 . . . . 0.0 117.591 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.73 18.55 78.81 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.181 0.896 . . . . 0.0 114.693 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.1 m -141.53 155.27 67.14 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 125.896 1.678 . . . . 0.0 109.78 -176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.83 -28.29 16.86 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.063 2.509 . . . . 0.0 113.207 173.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.5 p -163.11 161.86 25.4 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.767 1.227 . . . . 0.0 112.558 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -156.43 160.0 39.2 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.509 1.124 . . . . 0.0 109.388 173.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -95.24 131.11 41.65 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.813 0.845 . . . . 0.0 111.171 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.61 -23.47 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.404 1.081 . . . . 0.0 112.603 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -63.94 -21.81 66.64 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.407 1.483 . . . . 0.0 113.753 172.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -78.38 49.35 0.84 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.109 1.764 . . . . 0.0 111.762 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -52.31 -45.09 65.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.545 1.138 . . . . 0.0 113.347 -169.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.5 ttp-105 -59.88 -42.1 93.02 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.106 0.963 . . . . 0.0 112.818 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -68.55 -44.53 74.33 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.87 0.868 . . . . 0.0 110.944 174.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.53 -45.12 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.733 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -58.21 -43.53 87.71 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.301 1.0 OUTLIER -68.46 -34.24 75.6 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 173.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.9 mtm -68.44 -37.28 80.11 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.111 -0.993 . . . . 0.0 112.687 170.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 98.2 mmm -66.89 -39.78 87.57 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.412 1.085 . . . . 0.0 111.772 173.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.02 -34.91 75.58 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.645 -0.659 . . . . 0.0 111.909 171.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.9 m -68.95 -0.29 5.42 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 171.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.418 ' HB3' HD22 ' A' ' 40' ' ' LEU . 35.4 mtt -102.66 -2.68 27.86 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.981 1.312 . . . . 0.0 113.399 169.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.253 1.1 p -132.51 -31.76 1.36 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.52 -173.47 49.61 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.392 1.472 . . . . 0.0 113.394 169.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.75 133.67 34.94 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 123.839 0.733 . . . . 0.0 112.889 176.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -78.91 147.78 32.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.244 1.018 . . . . 0.0 112.861 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -79.41 -12.72 59.9 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 171.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 17.4 tpt -67.0 142.97 57.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.097 1.359 . . . . 0.0 112.622 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.381 1.467 . . . . 0.0 112.855 178.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 57.4 ttm . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -69.18 153.51 71.49 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.28 2.653 . . . . 0.0 112.327 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -131.13 159.57 37.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.074 1.35 . . . . 0.0 113.562 -176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -52.16 -49.39 63.87 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -66.26 -25.41 66.86 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -64.75 -42.75 94.94 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.209 -0.932 . . . . 0.0 111.208 172.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -66.77 -33.61 76.0 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 169.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -75.35 -37.77 60.49 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.985 -0.447 . . . . 0.0 111.502 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 28.2 tp -60.63 -31.29 70.49 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.615 -1.303 . . . . 0.0 112.284 174.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -66.05 -25.16 66.91 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.245 1.418 . . . . 0.0 113.952 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.5 mt -63.22 -55.77 22.2 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.678 0.672 . . . . 0.0 110.869 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.46 -29.34 64.74 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -71.1 -38.61 72.37 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.02 0.928 . . . . 0.0 112.063 173.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.86 -44.96 87.78 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.072 0.844 . . . . 0.0 112.824 175.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.53 -36.81 0.27 Allowed Glycine 0 CA--C 1.54 1.655 0 C-N-CA 126.928 2.204 . . . . 0.0 117.889 169.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.4 128.6 27.67 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.079 1.439 . . . . 0.0 112.771 -176.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.26 -15.78 38.51 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 -169.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -128.14 20.09 6.38 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.341 1.456 . . . . 0.0 112.133 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.6 tp 47.93 61.17 3.11 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.281 1.432 . . . . 0.0 111.38 -170.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -59.71 132.01 52.65 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 -169.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.293 39.9 t80 -73.25 142.14 47.24 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 177.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -154.0 167.59 29.25 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.207 1.803 . . . . 0.0 110.837 171.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.0 -18.84 42.33 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 118.057 1.983 . . . . 0.0 118.057 -168.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 64.9 mtm -82.96 -10.24 58.89 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.711 1.755 . . . . 0.0 113.207 173.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m 61.76 118.54 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 128.523 2.729 . . . . 0.0 114.803 -169.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t 65.22 128.83 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.129 0 C-N-CA 127.164 2.186 . . . . 0.0 115.34 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -67.53 113.82 3.06 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.493 2.129 . . . . 0.0 110.22 172.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.58 140.61 35.16 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -169.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . 0.382 9.3 p30 27.28 -90.74 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 119.076 2.991 . . . . 0.0 119.076 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.1 -13.72 58.07 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.217 1.389 . . . . 0.0 115.251 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.76 -29.89 70.43 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.774 1.287 . . . . 0.0 113.202 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -70.5 -35.32 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 172.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -25.92 68.6 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -16.2 63.95 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 171.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 t -69.42 153.12 44.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.066 0.946 . . . . 0.0 112.895 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -67.93 -23.43 65.08 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.749 1.219 . . . . 0.0 113.333 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -138.04 152.87 72.82 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 126.038 1.735 . . . . 0.0 111.283 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -66.29 140.0 56.96 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.037 2.491 . . . . 0.0 113.125 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.99 168.84 18.69 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.784 1.233 . . . . 0.0 112.578 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t 64.7 -24.16 0.08 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.897 2.479 . . . . 0.0 116.873 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -67.58 -31.05 70.84 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.616 -1.303 . . . . 0.0 112.839 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -138.25 138.53 38.55 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.779 1.632 . . . . 0.0 111.096 169.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -159.17 150.39 20.12 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.699 1.599 . . . . 0.0 110.469 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 138.81 57.86 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.78 145.34 48.78 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.761 0.824 . . . . 0.0 111.613 172.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.92 -24.08 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -173.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.7 ttt-85 47.29 72.36 1.29 Allowed Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 127.242 2.217 . . . . 0.0 112.506 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.94 167.12 26.89 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.068 2.512 . . . . 0.0 113.301 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -55.26 148.23 32.35 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.119 0.967 . . . . 0.0 112.246 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -60.45 -30.51 90.98 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.857 2.372 . . . . 0.0 112.745 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.71 -40.94 94.16 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.49 1.116 . . . . 0.0 112.438 174.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -75.71 -44.93 39.56 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.43 0.692 . . . . 0.0 111.526 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD11 ' HE3' ' A' ' 45' ' ' LYS . 45.5 tp -55.67 -39.55 71.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.597 0.759 . . . . 0.0 112.154 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.1 -39.86 83.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.118 0.967 . . . . 0.0 112.91 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.26 -45.6 92.58 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.624 0.77 . . . . 0.0 111.159 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.09 -43.86 91.87 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.707 0.685 . . . . 0.0 111.032 174.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.457 ' HE3' HD11 ' A' ' 41' ' ' LEU . 82.4 mttt -65.92 -26.53 67.64 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 176.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -65.23 -25.9 67.89 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.307 0.958 . . . . 0.0 112.307 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 m -101.15 16.58 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.429 1.492 . . . . 0.0 112.94 169.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.82 30.64 25.87 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 116.591 1.396 . . . . 0.0 116.591 168.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.23 126.2 28.98 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 119.557 1.679 . . . . 0.0 110.645 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -81.29 -39.95 24.44 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -168.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -78.63 172.82 13.14 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.606 1.962 . . . . 0.0 113.179 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -103.64 -2.56 26.41 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -143.56 146.67 33.5 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.924 1.69 . . . . 0.0 107.286 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -144.39 154.77 43.33 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.455 1.502 . . . . 0.0 114.228 -171.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.34 166.19 23.79 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 168.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mmt -54.66 -46.11 73.96 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.312 -0.867 . . . . 0.0 112.666 172.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.59 -39.41 88.4 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.926 0.891 . . . . 0.0 112.031 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.05 -43.83 91.03 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.61 -48.57 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.544 0.738 . . . . 0.0 109.443 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.8 -44.95 86.67 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.741 0.701 . . . . 0.0 111.248 176.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.26 31.1 t80 -53.57 -60.55 3.16 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 173.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -60.23 -41.51 93.27 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.91 -45.77 90.94 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.417 1.087 . . . . 0.0 111.526 176.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.19 -42.5 96.36 Favored Glycine 0 CA--C 1.527 0.798 0 O-C-N 121.742 -0.599 . . . . 0.0 113.393 175.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -61.58 -35.32 77.48 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.364 1.082 . . . . 0.0 112.061 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -62.82 -53.28 56.71 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 169.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.8 mt -59.74 -39.7 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.904 0.882 . . . . 0.0 111.142 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.3 ttm -62.48 -56.01 22.19 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.723 1.209 . . . . 0.0 111.632 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . 0.256 1.3 t -67.77 -36.67 80.92 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -72.96 -9.21 58.48 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.678 1.191 . . . . 0.0 113.669 170.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 56.08 42.8 27.94 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.518 1.927 . . . . 0.0 113.051 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.85 -7.8 57.17 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.936 1.294 . . . . 0.0 113.953 -173.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -69.9 152.42 44.52 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 172.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -62.01 133.63 55.59 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.332 -0.855 . . . . 0.0 113.09 169.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -57.84 -30.68 65.97 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.048 0.939 . . . . 0.0 112.417 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -88.29 -61.9 1.61 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.357 1.463 . . . . 0.0 110.447 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -87.42 79.47 8.41 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.969 1.308 . . . . 0.0 110.367 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -73.91 34.12 0.09 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.384 1.474 . . . . 0.0 113.44 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -143.27 5.69 1.47 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 128.066 2.546 . . . . 0.0 112.116 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.0 mt -121.04 127.8 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.221 1.408 . . . . 0.0 109.441 175.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -96.69 139.08 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.243 1.817 . . . . 0.0 112.998 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -128.9 125.56 37.85 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.154 1.782 . . . . 0.0 113.453 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 48.5 t -159.21 101.68 1.58 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.218 1.007 . . . . 0.0 110.426 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.6 p -105.24 142.22 35.4 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.912 1.285 . . . . 0.0 111.677 171.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.47 9.53 0.79 Allowed 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.26 31.7 m-20 -120.75 170.23 9.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.229 2.212 . . . . 0.0 115.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.2 tp -52.66 -41.32 63.71 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -168.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.8 tp -68.83 -38.12 79.62 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.417 1.008 . . . . 0.0 112.601 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.24 -37.77 86.92 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 123.629 0.633 . . . . 0.0 112.491 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.06 -32.31 73.81 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 172.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.7 mt -71.35 -62.12 1.52 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.991 1.316 . . . . 0.0 112.077 171.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.284 55.7 m-85 -68.81 -19.04 64.27 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 -176.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.89 16.7 80.49 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.41 1.005 . . . . 0.0 114.395 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.18 151.58 55.73 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 125.984 1.714 . . . . 0.0 109.567 -177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.53 -21.41 25.9 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.651 2.901 . . . . 0.0 113.212 175.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -161.02 158.15 27.42 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.246 1.418 . . . . 0.0 112.177 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -156.32 155.5 32.37 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.102 0.961 . . . . 0.0 109.696 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.1 t -97.48 133.64 41.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.846 0.858 . . . . 0.0 112.921 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . 0.26 1.3 t -77.07 -2.4 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.325 1.45 . . . . 0.0 114.439 170.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -65.43 -31.97 73.35 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.604 1.161 . . . . 0.0 112.405 170.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -111.39 81.35 1.43 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.879 1.272 . . . . 0.0 111.934 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -53.35 -37.12 62.06 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.268 1.027 . . . . 0.0 113.003 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -56.6 -39.24 73.23 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.679 1.591 . . . . 0.0 113.25 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -67.95 -44.49 76.64 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.911 0.885 . . . . 0.0 111.565 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.77 -46.6 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 118.46 -0.781 . . . . 0.0 111.127 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -57.64 -44.77 85.85 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.661 1.119 . . . . 0.0 112.909 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.275 1.1 t -66.22 -40.1 90.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 177.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 76.0 mtm -68.08 -40.18 82.75 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.581 -0.699 . . . . 0.0 112.508 173.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -76.64 -28.58 56.1 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.76 0.824 . . . . 0.0 111.862 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.0 -29.14 70.04 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.225 -0.922 . . . . 0.0 112.815 171.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.7 t -62.22 -24.92 67.51 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.21 -0.931 . . . . 0.0 112.32 173.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 36.9 mtt -79.17 -1.12 34.72 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.944 1.298 . . . . 0.0 113.446 176.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.345 0.9 OUTLIER -127.08 5.82 6.48 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -176.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.92 174.03 38.48 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 115.501 0.961 . . . . 0.0 115.501 174.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.26 -179.35 48.29 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.457 1.503 . . . . 0.0 115.38 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -128.7 22.03 5.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.006 1.722 . . . . 0.0 113.28 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.409 ' H ' ' CD ' ' A' ' 117' ' ' GLN . 6.4 pm0 -63.32 -24.52 67.89 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.004 1.721 . . . . 0.0 114.872 -178.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 36.4 mmt -78.9 141.9 37.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.108 0.963 . . . . 0.0 112.481 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 125.134 1.35 . . . . 0.0 112.877 179.608 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 118.741 -0.647 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -58.2 -33.22 97.31 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.342 2.695 . . . . 0.0 114.883 -175.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 17.9 ptt-85 -61.96 -30.16 70.73 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -69.18 -47.06 65.96 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 166.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -65.32 -32.02 73.45 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.464 0.705 . . . . 0.0 112.864 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.51 -40.49 87.28 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.422 1.01 . . . . 0.0 112.952 171.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -66.54 -41.94 87.93 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 168.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -70.58 -32.14 69.42 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.729 0.812 . . . . 0.0 112.094 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 21.3 tp -65.31 -31.58 72.79 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.715 -1.241 . . . . 0.0 112.476 176.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -63.3 -31.04 72.09 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.186 0.994 . . . . 0.0 112.313 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.98 -58.45 8.61 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.231 0.612 . . . . 0.0 111.163 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.7 ptp -70.53 -29.36 65.81 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -71.94 -37.24 70.03 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.966 0.906 . . . . 0.0 112.593 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.82 -55.32 4.2 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 123.834 0.731 . . . . 0.0 112.946 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.34 161.2 3.46 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.329 1.442 . . . . 0.0 114.712 -171.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.19 162.4 43.39 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 121.895 -0.768 . . . . 0.0 113.129 172.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 63.47 -33.97 0.13 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 128.212 2.605 . . . . 0.0 115.842 -175.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -63.19 -39.08 93.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.322 1.449 . . . . 0.0 112.57 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.1 tt -71.37 118.01 13.63 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.895 0.878 . . . . 0.0 109.633 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -58.67 120.29 8.65 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 117.824 2.528 . . . . 0.0 117.824 -174.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -62.72 -30.32 71.33 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.57 -10.41 59.2 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.747 1.219 . . . . 0.0 114.057 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.55 127.35 25.93 Favored Glycine 0 CA--C 1.534 1.266 0 O-C-N 121.558 -0.714 . . . . 0.0 112.27 174.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -75.05 -9.55 58.64 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.86 1.264 . . . . 0.0 114.261 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 m -153.41 164.79 37.54 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.376 2.27 . . . . 0.0 110.896 171.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 t -61.91 129.9 92.12 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 123.994 0.917 . . . . 0.0 112.524 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.45 163.38 36.84 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.398 2.732 . . . . 0.0 113.031 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 t -64.3 162.85 14.01 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -58.91 111.01 1.14 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.44 1.496 . . . . 0.0 115.028 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.25 -178.36 44.45 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.604 1.097 . . . . 0.0 113.845 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.22 43.62 1.13 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.38 1.472 . . . . 0.0 111.912 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 t -59.98 136.76 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.841 1.256 . . . . 0.0 113.503 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -58.03 -21.81 46.96 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -21.36 19.7 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 169.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.2 p -68.99 -16.39 63.72 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.271 1.428 . . . . 0.0 114.265 171.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . 0.253 9.5 tp60 63.29 130.1 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.887 2.875 . . . . 0.0 115.779 -177.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.6 pp -81.64 157.29 69.9 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.919 1.288 . . . . 0.0 112.615 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -73.11 76.91 2.49 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.834 3.022 . . . . 0.0 110.96 172.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.59 130.23 45.42 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.709 1.204 . . . . 0.0 113.1 -171.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.0 m 58.87 8.02 0.89 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.833 2.053 . . . . 0.0 116.491 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -93.26 131.16 38.63 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.572 1.149 . . . . 0.0 111.678 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -76.23 167.64 21.5 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.326 1.05 . . . . 0.0 113.343 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 135.15 52.07 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.442 -0.786 . . . . 0.0 109.736 167.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.72 141.14 43.05 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -172.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.4 mt -74.77 154.32 38.4 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.745 1.218 . . . . 0.0 113.058 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -126.11 161.69 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 127.999 2.52 . . . . 0.0 111.385 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -104.64 92.99 5.49 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 123.766 0.826 . . . . 0.0 110.689 171.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -65.41 155.88 66.34 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.215 1.943 . . . . 0.0 112.011 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -54.88 150.56 18.56 Favored Pre-proline 0 N--CA 1.478 0.93 0 C-N-CA 123.996 0.918 . . . . 0.0 112.047 171.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -59.5 -32.54 96.44 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.606 2.204 . . . . 0.0 112.832 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.2 tp -62.24 -40.64 96.83 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.492 1.117 . . . . 0.0 112.417 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.2 tp -73.97 -45.83 47.65 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.905 0.882 . . . . 0.0 111.435 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.4 HD11 ' HE3' ' A' ' 45' ' ' LYS . 40.7 tp -55.92 -39.66 71.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.214 1.006 . . . . 0.0 112.087 177.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -60.34 -37.9 82.11 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.996 0.918 . . . . 0.0 112.931 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.85 -45.59 93.13 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.415 0.686 . . . . 0.0 111.108 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.28 -41.42 96.91 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.544 0.611 . . . . 0.0 111.266 175.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HE3' HD11 ' A' ' 41' ' ' LEU . 71.6 mttt -65.78 -27.05 68.0 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 175.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 p -65.13 -25.04 67.59 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.357 0.98 . . . . 0.0 112.48 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.8 m -102.24 14.83 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.728 1.611 . . . . 0.0 113.039 169.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.54 28.15 25.26 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 116.865 1.506 . . . . 0.0 116.865 168.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.67 121.79 19.46 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 119.758 1.779 . . . . 0.0 110.233 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -79.63 -37.84 35.13 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 -167.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -91.12 -177.04 4.79 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.579 1.952 . . . . 0.0 113.87 -174.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.8 p30 -115.8 2.2 13.57 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.686 1.994 . . . . 0.0 115.444 -174.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.46 141.18 24.56 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 -174.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -147.82 151.64 36.32 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -169.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -73.59 158.41 34.86 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.614 1.097 . . . . 0.0 113.208 167.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.3 mmt -56.47 -38.24 71.43 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.83 -1.169 . . . . 0.0 113.065 173.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -66.48 -38.99 88.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.328 0.651 . . . . 0.0 112.592 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.22 -45.48 88.07 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.333 0.97 . . . . 0.0 112.739 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.29 -48.35 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 123.422 0.689 . . . . 0.0 110.592 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.67 -45.8 88.6 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.421 0.688 . . . . 0.0 111.553 174.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -52.37 -56.6 13.84 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -60.22 -40.08 88.92 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.05 -43.59 87.04 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.014 0.925 . . . . 0.0 112.343 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.23 98.93 Favored Glycine 0 CA--C 1.532 1.121 0 O-C-N 121.222 -0.924 . . . . 0.0 112.634 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -62.77 -34.79 77.97 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.955 -0.733 . . . . 0.0 112.461 172.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.46 -50.17 70.77 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 172.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.7 mt -58.81 -40.53 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.432 1.093 . . . . 0.0 111.337 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.5 mtm -64.57 -51.89 60.47 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 174.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -65.65 -34.83 79.13 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -77.53 -15.34 59.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.842 1.657 . . . . 0.0 114.507 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 54.64 43.85 29.53 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 126.225 1.81 . . . . 0.0 113.726 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.0 mt -74.87 -13.69 60.58 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.293 2.0 p90 -66.56 153.13 43.81 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.18 130.0 43.39 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.155 0.582 . . . . 0.0 112.518 168.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -59.16 -30.52 68.23 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.144 -0.973 . . . . 0.0 112.682 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -85.99 -45.9 11.03 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.971 1.309 . . . . 0.0 111.54 -175.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -120.96 89.5 3.14 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.472 1.509 . . . . 0.0 111.006 174.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -69.84 -9.93 56.58 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -172.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -78.71 -5.11 52.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.184 0.994 . . . . 0.0 113.399 169.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.7 mt -107.03 130.02 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.771 1.628 . . . . 0.0 110.224 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.1 t -102.03 128.92 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.068 1.747 . . . . 0.0 112.561 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.277 56.4 m-85 -104.88 68.74 0.84 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.739 2.016 . . . . 0.0 114.731 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.0 p -71.93 2.1 6.13 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -174.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 81.9 p -53.32 145.92 13.19 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.994 1.318 . . . . 0.0 113.815 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 58.47 16.01 3.91 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.197 1.799 . . . . 0.0 115.568 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -120.49 165.0 15.57 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.549 1.539 . . . . 0.0 112.861 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.1 tp -48.95 -38.11 22.06 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.226 1.41 . . . . 0.0 112.361 169.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.9 tp -70.56 -34.29 72.06 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.5 -37.46 94.47 Favored Glycine 0 CA--C 1.533 1.197 0 O-C-N 121.435 -0.791 . . . . 0.0 112.34 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.94 -29.99 70.49 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.39 -59.11 2.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.88 1.272 . . . . 0.0 112.114 171.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.263 27.0 m-85 -68.04 -23.89 65.03 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 117.754 2.502 . . . . 0.0 117.754 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.72 19.19 79.71 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 123.997 0.808 . . . . 0.0 114.54 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.6 m -139.79 155.22 71.36 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 126.187 1.795 . . . . 0.0 109.522 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.35 -25.92 17.87 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.283 2.655 . . . . 0.0 113.276 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.6 p -161.82 160.2 27.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.641 1.176 . . . . 0.0 113.0 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -158.06 162.88 38.12 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.46 1.504 . . . . 0.0 107.427 173.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.0 t -104.89 134.8 47.4 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.139 -0.976 . . . . 0.0 111.877 173.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.6 t -60.03 -26.01 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.736 0.814 . . . . 0.0 112.767 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -64.15 -20.43 65.99 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.424 1.89 . . . . 0.0 113.333 173.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -78.8 50.21 0.98 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.093 1.757 . . . . 0.0 112.066 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -51.92 -46.36 64.62 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.762 1.225 . . . . 0.0 114.24 -169.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -39.79 93.97 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.64 1.176 . . . . 0.0 112.933 -179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -67.59 -45.7 74.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.532 1.533 . . . . 0.0 111.376 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.26 -44.58 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-O 118.946 -0.549 . . . . 0.0 111.107 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -56.17 -47.89 77.39 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.279 1.2 t -67.05 -36.23 81.59 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 61.1 mtm -66.33 -42.69 87.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.46 -0.775 . . . . 0.0 112.353 172.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.2 mmm -63.48 -39.65 95.01 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.925 0.89 . . . . 0.0 111.992 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.78 80.79 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.447 0.699 . . . . 0.0 112.772 177.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.0 p -65.78 -18.78 65.57 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 39.2 mtt -85.99 -4.45 59.17 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.544 1.138 . . . . 0.0 113.703 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.324 0.7 OUTLIER -132.07 3.1 4.01 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.728 2.122 . . . . 0.0 116.728 -177.568 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -172.46 166.74 39.53 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.997 1.284 . . . . 0.0 113.24 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.79 168.21 54.17 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.273 0.94 . . . . 0.0 114.447 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -150.49 157.3 42.86 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.491 1.516 . . . . 0.0 111.686 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -68.8 154.52 41.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.951 0.9 . . . . 0.0 112.653 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.4 ptm -154.53 160.35 41.48 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.516 1.526 . . . . 0.0 111.805 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.193 0 C-N-CA 125.252 1.406 . . . . 0.0 113.138 178.206 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 58.6 ttm . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -58.99 143.93 99.55 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.506 2.804 . . . . 0.0 114.288 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -147.38 155.75 42.26 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.922 1.689 . . . . 0.0 112.641 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -50.59 -50.27 54.27 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 116.118 1.895 . . . . 0.0 116.118 170.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -68.94 -26.71 65.2 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -61.92 -49.06 77.68 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.198 0.908 . . . . 0.0 111.466 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -59.53 -41.11 89.28 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 169.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -67.03 -39.34 86.99 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.015 0.526 . . . . 0.0 111.13 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.5 -29.19 66.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.816 -1.178 . . . . 0.0 112.861 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 31.3 mmt-85 -68.74 -26.12 65.09 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.875 0.761 . . . . 0.0 113.026 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 83.8 mt -68.66 -47.67 65.94 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.629 0.65 . . . . 0.0 110.219 168.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.9 mtm -74.82 -27.58 60.35 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.372 0.669 . . . . 0.0 112.481 -170.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -63.06 -27.01 69.11 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.612 1.165 . . . . 0.0 112.216 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.84 9.86 67.29 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.512 1.53 . . . . 0.0 114.29 169.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.41 162.05 54.44 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.94 1.257 . . . . 0.0 113.028 170.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.45 -65.9 2.01 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.832 1.206 . . . . 0.0 112.649 -176.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -79.65 36.13 0.31 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.853 1.661 . . . . 0.0 112.451 170.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -85.02 169.16 14.24 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.752 1.621 . . . . 0.0 113.138 -170.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.89 -25.47 68.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.669 1.187 . . . . 0.0 113.05 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.268 30.2 t80 -48.79 133.43 17.49 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 172.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.435 22.4 t80 61.61 -0.01 0.44 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 -172.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 54.82 31.36 15.47 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.219 1.807 . . . . 0.0 113.268 -169.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.7 -21.53 76.46 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.182 0.896 . . . . 0.0 114.799 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 81.2 mmm -141.23 161.65 37.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.513 1.925 . . . . 0.0 112.363 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -62.54 161.69 11.59 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.328 1.451 . . . . 0.0 113.588 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 t -58.51 129.03 83.93 Favored Pre-proline 0 N--CA 1.476 0.825 0 C-N-CA 124.584 1.154 . . . . 0.0 112.838 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.48 137.12 35.5 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.249 2.633 . . . . 0.0 112.029 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -53.34 17.4 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 -176.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -164.78 169.53 16.61 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.167 1.787 . . . . 0.0 108.335 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.25 148.85 50.53 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.091 0.853 . . . . 0.0 112.888 171.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 137.2 56.95 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.937 -0.743 . . . . 0.0 112.857 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 p -140.8 -10.17 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -175.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 p -74.46 150.28 39.98 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.71 1.204 . . . . 0.0 109.364 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 p -74.04 -38.37 64.03 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.429 1.092 . . . . 0.0 108.719 172.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -68.23 147.12 52.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.981 1.313 . . . . 0.0 112.251 170.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -151.44 132.07 13.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.931 1.293 . . . . 0.0 110.759 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 pt -79.92 154.53 75.39 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.037 0.935 . . . . 0.0 111.879 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -60.86 137.8 74.93 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.008 2.472 . . . . 0.0 113.183 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.05 154.0 31.79 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.16 0.984 . . . . 0.0 112.321 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.5 t -71.62 143.29 49.84 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.487 0.715 . . . . 0.0 112.106 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -81.73 -7.98 59.65 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.34 1.056 . . . . 0.0 113.657 173.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -72.05 151.05 43.41 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.134 0.974 . . . . 0.0 112.795 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -139.27 144.13 38.24 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.486 1.515 . . . . 0.0 112.042 -176.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.92 128.98 29.47 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.427 1.491 . . . . 0.0 114.67 176.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.24 140.54 30.78 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.208 1.003 . . . . 0.0 112.092 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 m -113.87 -20.99 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -171.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 48.73 82.21 0.24 Allowed Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 127.768 2.427 . . . . 0.0 113.125 -172.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -65.56 161.04 40.2 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.435 2.09 . . . . 0.0 112.693 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -56.84 148.62 47.48 Favored Pre-proline 0 N--CA 1.479 0.994 0 C-N-CA 123.899 0.879 . . . . 0.0 112.289 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -55.88 -34.22 90.94 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.15 2.567 . . . . 0.0 114.477 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.32 -39.71 94.45 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.802 0.841 . . . . 0.0 112.351 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.0 tp -72.27 -44.25 63.07 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.619 0.767 . . . . 0.0 111.12 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.3 tp -53.91 -42.05 68.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.225 0.61 . . . . 0.0 111.549 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -62.3 -34.59 76.87 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.47 -38.3 89.28 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.681 -0.637 . . . . 0.0 111.023 170.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.64 -40.99 88.95 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.58 -0.7 . . . . 0.0 111.516 169.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -59.34 -32.35 70.01 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.435 -1.415 . . . . 0.0 112.887 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.1 m -64.87 -15.16 61.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.656 1.183 . . . . 0.0 113.638 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -117.87 21.92 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.258 1.823 . . . . 0.0 112.496 170.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.2 22.82 58.33 Favored Glycine 0 CA--C 1.535 1.34 0 N-CA-C 116.673 1.429 . . . . 0.0 116.673 169.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.68 120.53 10.8 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 119.03 1.415 . . . . 0.0 112.375 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -80.67 -47.4 14.1 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -169.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -72.2 171.99 11.04 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.844 1.658 . . . . 0.0 112.684 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -111.38 3.87 18.54 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.549 1.94 . . . . 0.0 115.591 169.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -143.19 141.88 31.27 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.748 2.019 . . . . 0.0 106.772 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -148.72 159.3 44.26 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -169.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -78.54 162.03 26.61 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 165.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.2 mmm -54.18 -42.04 69.22 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.742 -1.224 . . . . 0.0 112.747 172.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -68.26 -37.34 80.65 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.422 0.689 . . . . 0.0 112.441 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -65.48 -43.13 91.2 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.878 0.763 . . . . 0.0 113.015 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.16 -49.02 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.066 0.546 . . . . 0.0 110.577 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.49 -42.55 82.93 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.693 174.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -53.56 -57.95 8.91 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 176.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -59.63 -40.8 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.54 -44.01 95.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.347 1.059 . . . . 0.0 111.845 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.79 98.49 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.752 0.691 . . . . 0.0 112.67 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -63.33 -30.74 71.82 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.039 0.92 . . . . 0.0 112.76 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -69.33 -48.79 60.42 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.412 -0.805 . . . . 0.0 112.79 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.86 -42.26 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.841 1.256 . . . . 0.0 110.85 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 50.2 ttm -63.3 -56.32 17.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.368 1.467 . . . . 0.0 112.274 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -64.55 -34.12 77.5 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.17 1.545 . . . . 0.0 115.17 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -78.77 -10.48 59.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.689 1.595 . . . . 0.0 113.89 172.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 51.93 45.31 28.47 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 127.635 2.374 . . . . 0.0 113.558 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.2 mt -77.53 -7.63 56.57 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -63.76 146.5 53.78 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 170.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.88 134.02 52.16 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -66.63 -27.68 67.88 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -79.21 -46.72 17.31 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.647 0.779 . . . . 0.0 110.812 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -131.82 102.34 5.82 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.954 1.302 . . . . 0.0 112.58 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -66.83 -13.9 62.08 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -74.46 -0.14 16.5 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 170.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.0 mt -120.04 140.49 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.178 1.791 . . . . 0.0 109.66 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.4 t -119.56 139.78 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 126.088 1.755 . . . . 0.0 110.39 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -124.45 128.3 48.8 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.936 2.094 . . . . 0.0 114.267 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.1 t -160.38 108.92 1.67 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.083 0.953 . . . . 0.0 109.832 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 76.8 p -118.56 147.06 44.09 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.532 1.533 . . . . 0.0 111.95 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.267 0.8 OUTLIER 48.4 32.38 3.25 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 127.062 2.145 . . . . 0.0 115.72 -178.238 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -144.37 167.8 21.6 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.618 1.567 . . . . 0.0 109.65 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.4 tp -49.22 -51.91 30.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.101 1.76 . . . . 0.0 115.201 -167.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.78 -35.82 81.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.311 0.96 . . . . 0.0 113.134 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.77 -34.57 83.35 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.955 0.788 . . . . 0.0 112.779 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -67.13 -34.02 76.69 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 172.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.94 -57.86 5.51 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.663 0.785 . . . . 0.0 111.556 169.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.302 42.7 m-85 -67.44 -23.37 65.51 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 118.081 2.623 . . . . 0.0 118.081 -177.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.13 16.74 76.94 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.063 0.839 . . . . 0.0 114.409 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.79 151.68 63.63 Favored Pre-proline 0 N--CA 1.475 0.803 0 C-N-CA 126.115 1.766 . . . . 0.0 109.413 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -71.13 -21.85 26.71 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.642 2.895 . . . . 0.0 113.235 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -162.4 160.38 26.38 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.282 1.433 . . . . 0.0 112.34 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -154.55 158.16 39.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.885 0.874 . . . . 0.0 110.723 172.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.0 t -91.94 125.18 36.54 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.03 0.932 . . . . 0.0 111.625 171.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.5 t -61.29 -30.24 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.352 1.461 . . . . 0.0 112.632 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -65.31 -25.71 67.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.624 1.97 . . . . 0.0 113.305 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -79.65 62.1 3.83 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.15 1.38 . . . . 0.0 111.534 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -55.47 -43.98 76.01 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -169.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -60.9 -39.58 89.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.818 0.847 . . . . 0.0 113.132 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -67.49 -40.1 85.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.26 1.024 . . . . 0.0 111.405 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.23 -46.04 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.143 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -56.77 -43.45 80.85 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.278 1.2 t -66.95 -36.9 83.26 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.13 -39.64 90.02 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.247 -0.908 . . . . 0.0 112.456 171.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.3 mmm -67.34 -41.36 85.31 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.03 0.932 . . . . 0.0 111.915 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.19 -34.13 74.57 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.334 0.654 . . . . 0.0 111.904 173.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.7 m -67.79 -9.33 43.29 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.4 mtt -102.18 4.18 39.16 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.644 1.578 . . . . 0.0 113.74 172.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.7 p -132.52 -34.44 1.19 Allowed 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.95 172.91 54.96 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.29 1.424 . . . . 0.0 114.054 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.52 175.18 53.34 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.637 1.113 . . . . 0.0 114.418 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -150.98 161.66 42.3 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.584 1.554 . . . . 0.0 111.883 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -73.42 -16.9 61.31 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.309 1.044 . . . . 0.0 113.244 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.3 ttp 63.66 -34.16 0.14 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 129.237 3.015 . . . . 0.0 116.526 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 C-N-CA 125.683 1.611 . . . . 0.0 113.866 173.665 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 36.5 tpp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.65 148.01 93.96 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.917 2.411 . . . . 0.0 112.364 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -70.7 161.33 31.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.205 1.002 . . . . 0.0 112.314 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -48.51 -51.77 25.72 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -65.65 -32.54 74.17 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.32 -26.19 68.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.879 0.872 . . . . 0.0 112.474 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -83.54 -43.55 15.61 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 166.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -64.41 -32.99 74.84 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.258 1.023 . . . . 0.0 112.394 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 24.8 tp -56.86 -31.32 64.69 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.312 1.045 . . . . 0.0 112.691 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -72.63 -19.16 61.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.316 1.046 . . . . 0.0 112.186 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.54 -50.36 38.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.684 0.793 . . . . 0.0 111.766 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.7 ptp -70.9 -30.03 66.26 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.804 -0.56 . . . . 0.0 111.537 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -83.71 26.09 0.73 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.695 1.598 . . . . 0.0 112.79 169.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.34 -20.74 51.89 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.474 1.511 . . . . 0.0 115.953 -172.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.62 -16.32 71.8 Favored Glycine 0 CA--C 1.541 1.671 0 CA-C-N 118.582 1.191 . . . . 0.0 114.373 170.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.23 2.6 83.67 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.989 1.757 . . . . 0.0 114.944 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -129.06 171.05 12.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.889 1.676 . . . . 0.0 112.059 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.2 -23.8 64.3 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -169.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.4 tp 50.2 -93.07 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.696 2.398 . . . . 0.0 113.674 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.296 49.1 m-85 -126.47 10.39 7.29 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 117.652 2.464 . . . . 0.0 117.652 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.373 52.2 m-85 -60.44 153.82 22.12 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 118.53 2.789 . . . . 0.0 118.53 -175.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 67.58 122.37 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 128.545 2.738 . . . . 0.0 113.457 -169.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.71 -8.53 10.55 Favored Glycine 0 CA--C 1.545 1.925 0 C-N-CA 125.126 1.346 . . . . 0.0 114.577 -169.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 32.9 tpp -162.02 158.21 24.67 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 129.586 3.155 . . . . 0.0 108.264 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 p -90.52 -87.64 0.19 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.099 0.96 . . . . 0.0 110.021 167.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.7 t -140.33 126.62 11.89 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 127.342 2.257 . . . . 0.0 110.998 171.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.18 153.21 56.82 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 124.273 3.316 . . . . 0.0 112.799 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.99 113.89 5.35 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 170.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 p30 -86.03 -21.08 27.94 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.54 -169.31 42.39 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.541 1.543 . . . . 0.0 112.619 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.55 144.42 55.63 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 122.062 -0.669 . . . . 0.0 111.975 173.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 m -134.23 150.92 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.313 1.445 . . . . 0.0 113.604 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -65.13 152.56 43.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.896 1.278 . . . . 0.0 114.046 172.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.63 -1.11 56.81 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 170.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.9 m -77.98 41.84 0.37 Allowed 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 -171.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 -75.41 45.65 0.31 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.091 1.356 . . . . 0.0 112.962 172.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.3 pt -75.23 164.45 61.11 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.537 1.535 . . . . 0.0 111.507 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -63.96 -30.08 66.95 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.012 2.474 . . . . 0.0 114.64 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.51 155.0 39.64 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.511 1.124 . . . . 0.0 112.833 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -68.19 134.28 50.22 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.298 0.639 . . . . 0.0 112.335 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -143.18 155.78 44.62 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.713 1.605 . . . . 0.0 112.518 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -71.13 150.05 45.82 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.147 0.979 . . . . 0.0 112.167 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.7 mp0 -65.83 159.41 25.43 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.7 1.2 . . . . 0.0 112.857 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.42 132.71 51.94 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 116.425 2.009 . . . . 0.0 116.425 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.58 148.76 33.18 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.139 0.976 . . . . 0.0 112.34 173.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 m -132.95 163.66 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 127.57 2.348 . . . . 0.0 112.831 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -100.57 92.04 2.08 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 124.537 1.135 . . . . 0.0 111.085 169.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.98 153.35 76.41 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 121.87 1.713 . . . . 0.0 112.293 173.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 51.8 mtmt -59.03 151.56 55.51 Favored Pre-proline 0 N--CA 1.476 0.872 0 C-N-CA 124.285 1.034 . . . . 0.0 112.231 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.73 -35.26 93.01 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.029 2.486 . . . . 0.0 113.96 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.33 -38.77 90.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.431 1.092 . . . . 0.0 112.277 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 112' ' ' MET . 60.5 tp -74.93 -44.54 47.99 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.397 0.679 . . . . 0.0 111.402 174.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.6 tp -55.01 -38.87 68.44 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.805 0.842 . . . . 0.0 111.87 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -59.06 -40.57 85.56 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.995 0.918 . . . . 0.0 113.134 170.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -66.07 -45.19 82.19 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.066 0.947 . . . . 0.0 111.99 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.93 -43.14 91.11 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.393 0.677 . . . . 0.0 110.51 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -72.24 -24.34 61.36 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.776 1.23 . . . . 0.0 114.199 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.9 m -64.63 -23.3 67.22 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.706 0.803 . . . . 0.0 112.606 169.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 m -105.09 14.41 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.809 1.644 . . . . 0.0 113.418 168.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.61 28.13 36.63 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 125.169 1.366 . . . . 0.0 116.148 168.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 132.53 44.48 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.181 1.49 . . . . 0.0 111.202 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -88.27 -32.58 18.42 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -84.8 171.63 12.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.621 1.568 . . . . 0.0 114.377 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -108.47 4.83 24.67 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.499 1.919 . . . . 0.0 113.824 169.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.98 142.34 28.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 127.072 2.149 . . . . 0.0 106.378 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -144.03 152.56 41.17 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.25 1.0 OUTLIER -77.01 158.79 30.37 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 166.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.9 mmm -60.74 -34.11 73.94 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.883 -1.136 . . . . 0.0 112.493 174.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -67.99 -41.95 81.51 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.851 0.861 . . . . 0.0 111.917 172.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.88 -41.99 99.61 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.862 0.755 . . . . 0.0 112.778 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.405 HG13 HD21 ' A' ' 40' ' ' LEU . 55.0 t -61.94 -49.98 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.294 175.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -58.28 -45.21 88.31 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.394 0.997 . . . . 0.0 111.347 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -54.39 -56.89 14.09 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -64.76 -36.86 85.68 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 175.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.79 -42.91 97.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.238 1.015 . . . . 0.0 111.368 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.07 -43.31 98.96 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 123.752 0.691 . . . . 0.0 112.905 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.35 -33.86 73.02 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.7 1.25 . . . . 0.0 113.177 173.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -67.86 -49.49 61.81 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 173.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.56 -40.57 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.202 1.001 . . . . 0.0 111.08 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 31.8 ttm -61.81 -57.9 10.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.93 1.692 . . . . 0.0 111.986 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -63.41 -32.0 73.31 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -80.18 -15.7 56.48 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.834 1.654 . . . . 0.0 114.336 173.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 51.55 48.88 22.05 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.872 2.069 . . . . 0.0 113.484 -174.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.2 mt -75.44 -7.71 54.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -65.87 150.16 49.04 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.13 149.46 49.58 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 171.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -72.18 -38.76 69.03 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.844 -1.16 . . . . 0.0 112.62 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -87.56 -31.61 19.8 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.396 1.478 . . . . 0.0 114.466 -172.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -130.53 89.53 2.79 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.127 1.371 . . . . 0.0 108.89 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -70.61 -4.98 25.97 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -168.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -84.21 -8.41 59.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.844 1.258 . . . . 0.0 113.159 168.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 14.3 mt -96.53 138.94 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 120.138 1.335 . . . . 0.0 109.748 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 t -121.81 134.17 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.27 1.828 . . . . 0.0 112.453 -176.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -125.41 124.05 40.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.84 2.056 . . . . 0.0 114.3 -177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.0 t -156.67 48.69 0.46 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.652 0.739 . . . . 0.0 111.907 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.4 p -59.88 136.32 57.97 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.96 -1.088 . . . . 0.0 112.333 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 56.6 21.79 6.08 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 126.231 1.813 . . . . 0.0 115.835 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -132.96 167.66 19.87 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.975 1.31 . . . . 0.0 112.114 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.0 tp -47.62 -40.79 20.44 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -166.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.61 -40.83 84.68 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.807 1.185 . . . . 0.0 112.297 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.84 -33.86 66.08 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.391 0.52 . . . . 0.0 112.428 174.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.07 -34.37 77.89 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.9 mt -70.46 -57.42 4.81 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.725 1.21 . . . . 0.0 112.149 170.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.28 46.1 m-85 -68.21 -19.69 64.78 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 117.888 2.551 . . . . 0.0 117.888 -178.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.9 16.87 80.37 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.404 1.002 . . . . 0.0 114.249 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 m -143.57 151.22 53.42 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.967 1.707 . . . . 0.0 109.485 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.1 -25.15 22.86 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 123.396 2.731 . . . . 0.0 113.189 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.4 p -158.17 159.78 36.51 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.207 1.403 . . . . 0.0 112.601 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -157.79 171.18 20.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.194 1.397 . . . . 0.0 107.749 174.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.6 t -118.04 132.16 56.39 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.365 -0.834 . . . . 0.0 112.257 173.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.9 t -58.13 -22.43 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.541 1.536 . . . . 0.0 113.339 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -60.89 -22.75 64.62 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.251 1.421 . . . . 0.0 113.026 171.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -84.37 -1.13 54.99 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -170.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 35.08 -85.66 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.432 2.693 . . . . 0.0 116.249 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.2 mtm-85 -47.37 -41.72 20.29 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.031 1.732 . . . . 0.0 114.183 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -64.28 -41.1 97.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.312 0.645 . . . . 0.0 111.014 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.02 -46.14 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.516 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -60.79 -43.31 98.26 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.805 1.184 . . . . 0.0 110.942 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.287 1.0 OUTLIER -68.41 -37.25 80.15 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 177.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.8 mtm -67.91 -45.13 75.28 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.409 -0.807 . . . . 0.0 112.105 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -72.09 -20.86 61.58 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.933 0.893 . . . . 0.0 112.246 -173.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.26 69.03 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 121.564 -0.71 . . . . 0.0 112.889 170.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.2 p -67.81 -15.93 63.86 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.932 -1.105 . . . . 0.0 113.181 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.637 ' HB3' HD22 ' A' ' 40' ' ' LEU . 47.1 mtt -80.06 -8.62 59.48 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.785 -1.197 . . . . 0.0 112.869 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 p -135.55 -14.65 1.92 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.33 -124.46 0.86 Allowed Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.338 0.97 . . . . 0.0 113.526 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.88 -179.64 51.04 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.346 1.45 . . . . 0.0 114.351 -177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -76.58 39.55 0.21 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.683 1.593 . . . . 0.0 112.736 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -78.18 138.3 38.61 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.787 2.035 . . . . 0.0 112.521 -170.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -156.27 163.96 38.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.249 1.42 . . . . 0.0 112.173 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.33 0 C-N-CA 125.37 1.462 . . . . 0.0 113.714 -179.588 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -67.54 157.93 59.49 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.375 2.717 . . . . 0.0 112.583 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -133.7 5.23 3.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.88 1.672 . . . . 0.0 115.08 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -43.73 -46.7 7.69 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 172.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -65.85 -26.29 67.59 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -65.12 -41.62 94.69 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.507 1.049 . . . . 0.0 111.119 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -63.81 -43.1 97.28 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 170.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -69.14 -42.18 76.34 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.354 0.662 . . . . 0.0 111.557 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.14 -34.19 68.16 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.848 1.259 . . . . 0.0 112.79 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.46 -37.84 82.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.83 1.252 . . . . 0.0 111.762 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.49 -46.27 86.91 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.942 1.297 . . . . 0.0 111.572 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.7 mtm -74.45 -34.85 63.29 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.525 0.73 . . . . 0.0 111.485 -172.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -73.81 -10.87 60.11 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.969 1.308 . . . . 0.0 113.572 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.04 24.0 72.92 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.096 0.855 . . . . 0.0 114.56 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.29 28.18 0.83 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 126.356 1.931 . . . . 0.0 117.215 -169.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.82 128.8 4.92 Favored Glycine 0 CA--C 1.528 0.901 0 CA-C-N 119.009 1.404 . . . . 0.0 112.237 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.4 mp0 -73.97 -9.84 59.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.53 1.532 . . . . 0.0 114.105 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -72.21 72.94 0.93 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.487 1.515 . . . . 0.0 111.587 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.02 6.59 0.6 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.825 1.65 . . . . 0.0 113.687 -174.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -65.98 -27.49 68.18 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 -174.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -64.49 153.64 38.3 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.989 2.218 . . . . 0.0 116.989 170.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -144.12 143.11 30.98 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.915 1.286 . . . . 0.0 111.251 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.29 -151.0 15.42 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.652 1.12 . . . . 0.0 112.661 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.8 ptm -74.75 9.23 1.93 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 t -149.97 168.8 22.78 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.423 1.489 . . . . 0.0 112.224 -175.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.9 t 64.88 124.38 0.02 OUTLIER Pre-proline 0 N--CA 1.479 0.995 0 C-N-CA 128.469 2.708 . . . . 0.0 113.891 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -76.9 136.47 16.7 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.724 2.949 . . . . 0.0 111.247 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.398 0.2 OUTLIER -74.63 39.94 0.13 Allowed 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 178.064 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -114.35 -11.27 12.56 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 117.348 2.351 . . . . 0.0 117.348 -169.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.17 -152.78 9.28 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.17 1.367 . . . . 0.0 114.202 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 53.67 39.68 30.49 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.813 1.645 . . . . 0.0 114.021 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -144.1 143.64 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.222 1.409 . . . . 0.0 113.292 -174.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 p -128.83 -4.66 5.15 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -174.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.21 134.23 56.34 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.0 m -72.39 -26.21 61.79 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -76.52 155.18 33.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.752 1.221 . . . . 0.0 112.898 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.96 151.33 65.06 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 125.992 1.717 . . . . 0.0 111.427 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.06 127.54 13.7 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.987 2.458 . . . . 0.0 112.298 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -21.71 65.53 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.4 m -71.84 -12.4 61.26 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.269 1.427 . . . . 0.0 114.767 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . 0.256 22.3 pt-20 48.05 35.1 4.75 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.943 2.097 . . . . 0.0 115.254 173.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 pm0 -74.81 -5.68 44.82 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -169.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -54.88 134.81 48.45 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.29 143.23 48.8 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 117.77 2.507 . . . . 0.0 117.77 -169.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.7 148.52 42.61 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.225 1.01 . . . . 0.0 111.563 169.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.64 -20.68 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -174.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 51.7 70.33 2.0 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 127.018 2.127 . . . . 0.0 113.219 -169.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.479 ' CB ' HD23 ' A' ' 40' ' ' LEU . 36.4 Cg_endo -71.51 163.99 37.19 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.092 2.528 . . . . 0.0 113.926 -173.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -58.15 150.07 53.92 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 124.625 1.17 . . . . 0.0 112.524 176.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -61.46 -31.29 87.86 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.674 2.249 . . . . 0.0 112.62 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.67 -40.53 95.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.663 1.185 . . . . 0.0 112.47 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 112' ' ' MET . 57.3 tp -70.79 -48.31 54.9 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.879 0.872 . . . . 0.0 111.282 173.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.6 tp -53.89 -39.53 65.84 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.038 0.935 . . . . 0.0 112.135 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.89 -41.24 82.16 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.213 1.005 . . . . 0.0 112.99 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tt -65.09 -43.43 92.14 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.048 0.939 . . . . 0.0 111.707 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.62 -42.56 99.66 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.678 0.672 . . . . 0.0 111.291 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -73.84 -21.13 60.23 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.418 1.087 . . . . 0.0 113.832 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 m -65.0 -21.44 66.85 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.662 0.785 . . . . 0.0 112.445 168.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 m -108.04 19.35 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.689 1.596 . . . . 0.0 113.74 169.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.1 23.62 47.97 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 116.898 1.519 . . . . 0.0 116.898 168.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.55 133.91 56.26 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 119.106 1.453 . . . . 0.0 111.851 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -85.74 -52.21 5.93 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.236 -0.915 . . . . 0.0 113.379 -170.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.53 171.14 15.04 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.69 1.996 . . . . 0.0 112.849 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -99.43 -3.19 34.27 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -138.02 145.15 41.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.201 1.401 . . . . 0.0 108.415 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -147.39 161.58 40.73 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.926 1.69 . . . . 0.0 115.094 -172.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -83.87 166.03 18.25 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.269 1.428 . . . . 0.0 114.005 168.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.4 mmt -54.54 -43.13 71.68 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.497 1.044 . . . . 0.0 112.647 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -60.57 -48.33 82.23 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.644 1.178 . . . . 0.0 111.516 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.59 -40.02 84.82 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.47 HG11 HD21 ' A' ' 40' ' ' LEU . 97.8 t -62.59 -49.3 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 118.34 0.518 . . . . 0.0 110.042 174.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.28 -42.2 90.71 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.639 0.654 . . . . 0.0 110.993 176.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -53.99 -58.71 6.29 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -58.76 -39.43 80.97 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.1 tp -65.74 -44.54 85.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.48 1.112 . . . . 0.0 111.896 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.19 98.05 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 123.65 0.643 . . . . 0.0 112.772 174.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -63.36 -32.15 73.49 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.144 0.972 . . . . 0.0 112.513 172.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -65.81 -49.47 68.15 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 169.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.6 mt -60.39 -38.1 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.389 1.076 . . . . 0.0 111.272 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.0 ttm -62.86 -57.48 10.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.298 1.439 . . . . 0.0 111.958 173.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -67.38 -35.45 79.35 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -80.76 -10.24 59.74 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.836 1.254 . . . . 0.0 113.55 170.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 54.8 46.5 24.4 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.3 2.64 . . . . 0.0 113.045 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 49.1 mt -78.64 -6.29 55.29 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -74.43 151.76 39.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 174.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -67.03 129.8 41.07 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 120.693 -1.254 . . . . 0.0 112.322 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -61.35 -29.06 69.66 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.202 -0.936 . . . . 0.0 112.835 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -81.59 -68.08 0.72 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.603 1.161 . . . . 0.0 111.206 172.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -83.76 81.43 8.76 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.23 1.012 . . . . 0.0 110.951 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -58.6 -23.67 59.29 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.777 1.231 . . . . 0.0 112.848 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -84.2 5.93 24.58 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.678 1.591 . . . . 0.0 114.447 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.8 mt -126.12 130.98 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 120.075 1.307 . . . . 0.0 110.447 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.5 p -105.63 139.87 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.434 1.493 . . . . 0.0 111.501 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.322 70.7 m-85 -110.5 59.95 0.61 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.661 1.984 . . . . 0.0 116.136 -172.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.8 p -67.72 48.61 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.589 2.355 . . . . 0.0 115.688 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -85.47 124.21 31.8 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.562 -1.336 . . . . 0.0 111.92 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 54.8 26.37 7.62 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.134 1.774 . . . . 0.0 115.621 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -120.59 179.87 4.2 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.188 1.795 . . . . 0.0 113.574 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 63.9 tp -56.35 -40.82 75.12 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.524 -0.735 . . . . 0.0 111.872 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.1 tp -64.89 -37.33 87.27 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.46 -34.55 90.24 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.177 0.894 . . . . 0.0 113.09 170.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.41 -32.82 73.97 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 171.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.07 -57.82 4.16 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.807 0.843 . . . . 0.0 112.285 169.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.273 38.7 m-85 -75.67 -24.06 56.29 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 118.611 2.819 . . . . 0.0 118.611 -175.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.44 17.37 78.94 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 123.949 0.785 . . . . 0.0 114.887 -178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 m -139.45 152.15 68.38 Favored Pre-proline 0 N--CA 1.479 0.981 0 C-N-CA 125.825 1.65 . . . . 0.0 109.521 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.31 -18.77 17.81 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.908 3.072 . . . . 0.0 113.805 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.4 p -166.34 159.77 15.12 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.712 1.605 . . . . 0.0 111.556 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -155.65 152.64 28.91 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.598 0.713 . . . . 0.0 112.096 168.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 p -80.14 127.78 32.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.576 1.15 . . . . 0.0 112.052 169.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.433 ' HA ' HD11 ' A' ' 105' ' ' ILE . 63.3 t -72.26 -21.06 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.839 2.056 . . . . 0.0 112.561 -175.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.98 -34.54 71.94 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -84.74 94.44 8.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.654 0.782 . . . . 0.0 112.661 -172.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -50.98 -54.1 27.41 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.544 1.538 . . . . 0.0 113.103 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -56.97 -43.38 81.56 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.737 1.215 . . . . 0.0 112.66 -175.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.57 -47.82 84.51 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.386 1.474 . . . . 0.0 111.86 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 99' ' ' VAL . 68.9 mt -74.36 -40.05 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 122.875 0.47 . . . . 0.0 111.162 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.68 -41.12 97.13 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.295 1.2 t -69.45 -34.65 74.7 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 173.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.24 -27.94 64.85 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.055 -1.028 . . . . 0.0 113.319 169.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.7 mmt -65.29 -32.22 73.77 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.383 0.992 . . . . 0.0 113.063 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.77 -30.67 70.95 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.572 -0.705 . . . . 0.0 112.765 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.5 t -71.24 -18.67 62.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.428 1.091 . . . . 0.0 113.121 172.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.602 ' HB3' HD22 ' A' ' 40' ' ' LEU . 43.5 mtt -88.64 -1.69 58.2 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 120.468 -1.395 . . . . 0.0 114.217 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 p -133.84 7.45 3.76 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -169.49 -176.87 39.67 Favored Glycine 0 CA--C 1.536 1.353 0 O-C-N 121.334 -0.854 . . . . 0.0 114.716 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.0 154.65 22.46 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.47 1.51 . . . . 0.0 114.202 -177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -78.45 46.22 0.62 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.456 1.902 . . . . 0.0 113.167 -176.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -78.77 48.77 0.84 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.165 1.786 . . . . 0.0 113.68 -171.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 64.1 ttp -68.9 -29.43 67.71 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.119 1.368 . . . . 0.0 113.317 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.163 0 C-N-CA 125.697 1.617 . . . . 0.0 112.997 178.627 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 18.5 tpt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 118.869 -0.586 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -67.29 141.14 55.62 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.808 2.338 . . . . 0.0 111.755 175.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -73.89 -5.55 41.82 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -51.76 -51.39 56.59 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 174.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -69.72 -34.56 74.04 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -168.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.6 -33.09 75.12 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.789 1.177 . . . . 0.0 112.258 175.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -69.93 -41.8 74.13 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 168.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -69.32 -36.91 77.44 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.349 0.66 . . . . 0.0 112.014 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.78 -32.43 71.75 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.72 -1.238 . . . . 0.0 112.464 175.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -68.29 -21.43 64.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.569 1.148 . . . . 0.0 112.887 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.26 -59.1 5.18 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.798 0.726 . . . . 0.0 110.719 169.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.1 ptp -69.64 -34.1 73.56 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.137 0.426 . . . . 0.0 111.771 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -74.57 -34.2 62.86 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.354 1.062 . . . . 0.0 112.908 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.79 -2.4 69.57 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.28 1.419 . . . . 0.0 115.316 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.64 33.18 1.01 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 126.247 1.88 . . . . 0.0 116.774 -169.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.77 45.62 1.92 Allowed Glycine 0 CA--C 1.538 1.53 0 C-N-CA 126.261 1.886 . . . . 0.0 115.172 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.269 21.7 pt-20 50.19 25.65 1.86 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.991 2.516 . . . . 0.0 115.916 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -70.99 -6.47 39.07 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 tp -80.38 58.24 3.06 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.923 1.289 . . . . 0.0 113.012 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.272 3.3 p90 -98.11 -7.94 28.62 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 117.302 2.334 . . . . 0.0 117.302 171.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -60.97 96.12 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -173.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 56.84 40.53 28.92 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.223 1.409 . . . . 0.0 111.647 -168.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.71 -175.2 43.56 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.431 1.491 . . . . 0.0 113.885 -174.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 77.7 mtm -77.91 -14.64 59.48 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.7 m -78.48 50.35 0.94 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.743 1.217 . . . . 0.0 114.188 -175.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 t 68.57 138.69 0.06 OUTLIER Pre-proline 0 N--CA 1.481 1.086 0 C-N-CA 126.126 1.771 . . . . 0.0 113.742 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -53.99 129.54 34.8 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 123.432 2.755 . . . . 0.0 112.76 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 t -69.27 -23.21 63.81 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -148.73 137.13 21.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.182 1.793 . . . . 0.0 111.309 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.1 -132.16 39.47 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 123.751 0.691 . . . . 0.0 112.976 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.07 166.51 25.89 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.376 1.47 . . . . 0.0 111.921 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -62.33 156.67 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.958 0.903 . . . . 0.0 113.194 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.291 1.1 p -60.54 143.68 53.14 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -78.39 161.11 27.39 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.7 p -139.32 145.2 38.78 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.643 1.177 . . . . 0.0 112.554 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -106.5 2.3 26.14 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.291 1.836 . . . . 0.0 113.049 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.8 pt -141.13 150.51 59.08 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 126.658 1.983 . . . . 0.0 111.288 -174.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.01 147.65 68.19 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.484 2.789 . . . . 0.0 113.439 -176.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.59 155.19 33.96 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.736 1.214 . . . . 0.0 111.94 169.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -67.6 143.91 55.83 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -82.15 66.43 7.73 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.172 1.389 . . . . 0.0 111.294 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -66.51 134.71 52.98 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.085 0.954 . . . . 0.0 112.739 -177.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -85.67 -4.61 59.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.734 1.214 . . . . 0.0 114.179 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.64 129.24 40.99 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 116.674 2.101 . . . . 0.0 116.674 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.6 mt -86.05 126.24 34.03 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.379 1.072 . . . . 0.0 111.288 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 m -83.08 -24.91 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -170.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? 56.01 73.17 0.87 Allowed Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 126.863 2.065 . . . . 0.0 112.821 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.61 160.54 43.89 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.093 2.529 . . . . 0.0 112.653 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -57.53 148.85 53.58 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.59 1.156 . . . . 0.0 112.065 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -62.34 -31.68 81.56 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.708 2.272 . . . . 0.0 112.84 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.6 tp -63.57 -39.85 95.46 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.389 1.076 . . . . 0.0 112.348 174.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.6 tp -71.2 -45.21 63.84 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.713 0.805 . . . . 0.0 111.153 174.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -53.16 -45.9 68.64 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.88 -0.581 . . . . 0.0 111.406 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -56.85 -36.02 69.53 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.327 1.051 . . . . 0.0 113.448 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tt -62.67 -37.56 86.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.663 0.785 . . . . 0.0 111.414 172.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.01 -42.16 81.13 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.976 0.91 . . . . 0.0 111.485 170.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -32.94 70.18 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.53 -1.356 . . . . 0.0 112.187 176.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 m -64.74 -17.71 64.39 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.788 1.235 . . . . 0.0 113.792 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 m -113.81 21.15 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 125.861 1.665 . . . . 0.0 112.243 170.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.07 22.34 57.55 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 130.08 43.31 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 119.085 1.442 . . . . 0.0 110.933 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -93.21 -37.95 11.81 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.099 1.888 . . . . 0.0 116.099 -168.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -77.66 170.41 16.62 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.874 1.67 . . . . 0.0 112.17 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -102.57 -2.58 28.21 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 168.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -145.07 147.57 32.72 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.982 1.713 . . . . 0.0 107.443 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -147.74 161.67 40.74 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.681 1.593 . . . . 0.0 114.386 -169.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -80.52 161.77 24.65 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 166.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.7 mtp -55.57 -39.91 71.29 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.654 -1.279 . . . . 0.0 112.832 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -65.68 -42.77 90.89 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.254 1.021 . . . . 0.0 111.744 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.15 -43.58 94.78 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.4 t -63.07 -48.82 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.518 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.1 mt -57.69 -41.63 82.04 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.96 0.8 . . . . 0.0 111.925 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.251 26.3 t80 -55.11 -56.77 16.16 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 171.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -61.89 -41.8 98.32 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.0 -43.69 98.07 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.614 1.166 . . . . 0.0 111.497 174.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.04 -42.98 99.76 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.55 0.595 . . . . 0.0 112.879 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -64.58 -32.68 74.43 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.205 1.402 . . . . 0.0 112.525 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -68.59 -50.08 54.37 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.709 0.804 . . . . 0.0 112.287 173.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.19 -41.44 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 111.217 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 48.1 ttm -61.8 -55.37 30.76 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.317 1.447 . . . . 0.0 112.197 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -66.68 -34.44 77.87 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -76.61 -13.14 60.09 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.576 1.55 . . . . 0.0 113.77 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 53.45 44.55 29.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.402 2.281 . . . . 0.0 113.201 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.9 mt -75.69 -8.18 56.17 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -63.73 149.06 47.56 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.988 1.848 . . . . 0.0 115.988 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -63.64 148.03 50.03 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.361 -0.837 . . . . 0.0 111.426 169.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -67.58 -34.58 77.33 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.747 -1.221 . . . . 0.0 112.094 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -89.43 -59.86 2.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.139 1.376 . . . . 0.0 110.735 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -96.4 78.03 3.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.786 1.234 . . . . 0.0 109.923 176.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -65.91 -12.85 57.73 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.276 -0.89 . . . . 0.0 113.334 -173.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -77.31 -3.02 37.81 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.231 1.412 . . . . 0.0 113.696 169.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.3 mt -108.19 127.28 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.687 1.595 . . . . 0.0 109.957 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.9 t -99.74 131.15 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.519 1.528 . . . . 0.0 110.529 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.257 45.5 m-85 -98.76 92.34 5.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.366 1.866 . . . . 0.0 115.481 173.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -79.07 -13.84 59.51 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.513 1.525 . . . . 0.0 113.046 -175.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -55.48 141.26 37.48 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.348 1.459 . . . . 0.0 113.762 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 57.38 20.27 5.79 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.673 1.989 . . . . 0.0 115.402 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -128.43 165.74 20.07 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.988 1.715 . . . . 0.0 113.647 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.3 tp -49.52 -38.99 32.62 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.593 1.157 . . . . 0.0 112.182 170.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.8 tp -59.61 -35.93 75.31 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.02 -30.43 72.16 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.025 0.821 . . . . 0.0 113.107 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -67.72 -29.88 69.23 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 170.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.94 -66.27 0.81 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.922 0.889 . . . . 0.0 111.332 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.301 32.2 m-85 -68.09 -21.59 64.95 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 -172.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.91 17.38 75.32 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 123.881 0.753 . . . . 0.0 114.856 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 m -136.68 153.97 76.2 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 126.109 1.764 . . . . 0.0 109.694 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.13 -28.34 23.6 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.129 2.553 . . . . 0.0 112.957 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -163.93 163.5 23.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.352 1.461 . . . . 0.0 112.343 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -154.39 154.83 33.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.259 1.024 . . . . 0.0 109.993 170.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.8 t -88.16 127.86 35.44 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.509 0.724 . . . . 0.0 111.335 170.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.39 -23.59 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.681 1.592 . . . . 0.0 112.446 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.53 -26.02 66.57 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.895 1.278 . . . . 0.0 113.62 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -79.44 55.13 1.86 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.415 1.086 . . . . 0.0 112.44 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -51.13 -43.73 61.22 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.309 1.044 . . . . 0.0 112.177 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.4 ptt85 -54.61 -35.16 63.09 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.317 1.847 . . . . 0.0 115.128 174.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -80.28 -45.32 18.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.733 1.213 . . . . 0.0 110.421 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.24 -41.27 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.751 0.82 . . . . 0.0 111.007 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -56.63 -45.15 81.7 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.294 0.7 OUTLIER -68.79 -36.5 78.34 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 173.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 67.1 mtm -64.44 -41.22 96.69 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.555 -0.716 . . . . 0.0 112.154 172.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.4 mmm -66.71 -43.07 85.3 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.893 0.877 . . . . 0.0 111.915 175.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.35 72.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.502 0.721 . . . . 0.0 112.62 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -69.07 -16.21 63.63 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.3 mtt -92.09 5.81 48.85 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.353 0.8 OUTLIER -125.73 126.19 44.21 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.593 1.557 . . . . 0.0 113.118 -178.122 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.14 -165.52 21.28 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 123.725 0.679 . . . . 0.0 112.31 -167.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.72 15.86 60.44 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 117.003 1.561 . . . . 0.0 117.003 169.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -69.74 -23.8 63.45 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 118.864 1.332 . . . . 0.0 113.377 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -65.43 139.38 58.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.663 1.185 . . . . 0.0 112.146 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 77.4 mtm -139.09 156.5 47.11 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.733 1.613 . . . . 0.0 111.912 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.237 0 C-N-CA 125.251 1.405 . . . . 0.0 112.943 -179.388 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 62.3 tpp . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -59.2 156.24 35.96 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.696 2.93 . . . . 0.0 114.577 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -135.65 159.92 40.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.997 1.319 . . . . 0.0 113.859 -175.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -49.35 -45.59 45.84 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 117.871 2.545 . . . . 0.0 117.871 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -57.96 -22.9 51.41 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.93 -37.3 81.82 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.159 0.984 . . . . 0.0 112.827 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -68.02 -42.16 81.07 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 169.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 25.3 t-105 -69.5 -36.38 76.44 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.229 0.612 . . . . 0.0 111.403 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.56 -29.7 69.33 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.852 -1.155 . . . . 0.0 112.398 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -72.76 -18.3 61.51 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.922 0.889 . . . . 0.0 112.931 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.02 -49.37 67.96 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.713 1.142 . . . . 0.0 110.493 168.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.441 ' SD ' ' HE2' ' A' ' 57' ' ' LYS . 14.5 ptp -78.14 -33.34 50.44 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -172.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -90.49 -27.51 19.17 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.51 5.61 84.5 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.33 1.443 . . . . 0.0 114.975 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.98 115.69 7.67 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-N 118.776 1.288 . . . . 0.0 111.517 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.44 11.96 84.76 Favored Glycine 0 CA--C 1.54 1.619 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -67.81 -73.23 0.15 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.401 1.6 . . . . 0.0 111.872 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -169.61 139.29 2.01 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.433 1.893 . . . . 0.0 111.348 168.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.3 mt -146.91 40.01 1.05 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.802 2.041 . . . . 0.0 110.428 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.268 3.3 p90 -56.87 -16.12 6.1 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 118.424 2.75 . . . . 0.0 118.424 -174.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -60.77 -23.73 65.22 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 116.839 2.162 . . . . 0.0 116.839 170.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -94.31 4.79 53.4 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 125.056 1.343 . . . . 0.0 112.373 170.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.72 -175.95 53.05 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.155 1.36 . . . . 0.0 113.923 -173.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.9 ptp 49.58 28.91 2.74 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 127.274 2.23 . . . . 0.0 115.933 174.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.6 t 64.65 -51.47 0.31 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 128.436 2.694 . . . . 0.0 116.048 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.9 t -146.13 128.55 7.88 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 127.964 2.506 . . . . 0.0 109.97 174.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.89 -28.9 7.36 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.459 2.773 . . . . 0.0 113.963 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.68 131.21 46.29 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -174.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -81.07 57.32 3.08 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.717 1.207 . . . . 0.0 112.269 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.27 -139.24 46.74 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.474 1.035 . . . . 0.0 113.102 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.23 4.03 16.15 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 173.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.4 0.3 OUTLIER 61.1 -8.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 118.803 2.89 . . . . 0.0 118.803 -178.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.285 0.4 OUTLIER -63.31 154.44 31.69 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 178.07 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.3 0.2 OUTLIER -73.95 15.45 0.3 Allowed 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 178.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.8 p -65.85 -33.11 75.1 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.854 -1.154 . . . . 0.0 113.841 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 59.7 -21.56 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 128.957 2.903 . . . . 0.0 117.618 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.2 pt -68.82 148.26 97.95 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 124.962 1.305 . . . . 0.0 112.605 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.51 -24.36 10.58 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.118 2.545 . . . . 0.0 113.377 175.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.79 147.17 43.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.486 1.114 . . . . 0.0 113.221 -177.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.2 m -132.49 23.94 4.4 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.021 1.729 . . . . 0.0 112.69 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -77.15 -8.39 57.44 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.126 1.37 . . . . 0.0 114.505 -172.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -135.74 166.23 23.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.143 1.777 . . . . 0.0 111.936 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.42 124.87 21.65 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.302 1.041 . . . . 0.0 111.955 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.36 131.12 53.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.537 1.535 . . . . 0.0 113.947 176.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.47 144.58 32.04 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.648 1.179 . . . . 0.0 112.717 -168.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -100.25 -25.07 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -177.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 47.54 72.1 1.37 Allowed Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 127.414 2.286 . . . . 0.0 112.618 -174.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.22 165.89 30.99 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.0 2.466 . . . . 0.0 112.919 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -58.4 146.21 72.81 Favored Pre-proline 0 N--CA 1.478 0.945 0 C-N-CA 124.154 0.982 . . . . 0.0 112.16 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -63.43 -26.2 70.69 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.204 2.603 . . . . 0.0 113.649 -175.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.85 -38.57 82.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.06 0.944 . . . . 0.0 112.134 173.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.71 -43.15 56.55 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.184 0.594 . . . . 0.0 111.354 176.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.52 -40.55 68.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.694 0.798 . . . . 0.0 112.273 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.85 -37.06 80.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.966 0.906 . . . . 0.0 113.01 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.6 -41.33 88.63 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.904 0.882 . . . . 0.0 111.677 172.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.0 mt -59.8 -41.42 91.16 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.085 0.857 . . . . 0.0 110.927 172.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -68.13 -20.54 64.91 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 172.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.6 m -66.87 -17.21 64.78 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.119 0.872 . . . . 0.0 112.609 169.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.64 16.27 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 126.007 1.723 . . . . 0.0 112.535 168.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.38 23.68 50.13 Favored Glycine 0 CA--C 1.533 1.202 0 N-CA-C 117.022 1.569 . . . . 0.0 117.022 168.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.45 121.65 15.77 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 119.393 1.596 . . . . 0.0 112.146 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -81.23 -34.04 32.44 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -168.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -70.33 166.59 19.89 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.919 1.287 . . . . 0.0 112.17 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -101.55 -5.82 24.67 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.062 1.745 . . . . 0.0 115.626 168.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.11 149.66 28.31 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -141.16 152.78 44.95 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -168.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.79 158.78 30.64 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.42 0.688 . . . . 0.0 112.614 166.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 32.4 ttm -61.19 -34.42 75.04 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.456 -1.402 . . . . 0.0 111.536 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' HE2' ' SD ' ' A' ' 0' ' ' MET . 14.1 tptm -62.12 -43.19 99.37 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.503 1.121 . . . . 0.0 111.055 175.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.26 -43.74 81.1 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.09 0.956 . . . . 0.0 113.193 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.78 -50.26 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.762 0.71 . . . . 0.0 110.444 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.14 -45.7 79.48 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.362 0.665 . . . . 0.0 111.186 173.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.254 39.9 t80 -52.55 -61.0 2.56 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 174.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -60.18 -40.1 88.81 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.987 1.847 . . . . 0.0 115.987 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.73 -46.67 81.25 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.267 1.027 . . . . 0.0 111.923 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.25 -40.26 96.54 Favored Glycine 0 CA--C 1.526 0.775 0 O-C-N 121.577 -0.702 . . . . 0.0 113.215 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -62.91 -35.82 81.33 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 117.676 0.738 . . . . 0.0 111.916 172.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -62.41 -51.9 65.71 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 170.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.0 mt -58.76 -42.09 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.59 1.156 . . . . 0.0 111.044 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.2 ttm -66.21 -54.13 28.84 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.701 1.201 . . . . 0.0 112.276 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -66.97 -33.65 76.04 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -78.0 -4.94 49.57 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.889 1.275 . . . . 0.0 113.66 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 53.3 44.45 30.11 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 127.46 2.304 . . . . 0.0 113.315 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.5 mt -76.68 -5.79 49.4 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -67.29 148.89 51.11 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -59.65 136.24 57.93 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -65.36 -26.14 67.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -84.89 -63.14 1.38 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.333 1.053 . . . . 0.0 111.726 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -96.77 109.5 22.16 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.086 0.954 . . . . 0.0 111.898 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.43 27.14 0.05 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.034 1.334 . . . . 0.0 114.337 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -141.7 -8.83 0.94 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.924 2.089 . . . . 0.0 112.909 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.8 mt -90.48 136.89 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 120.009 1.277 . . . . 0.0 108.377 171.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -121.28 131.31 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.627 1.571 . . . . 0.0 110.234 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 59.6 m-85 -99.05 137.71 37.19 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 175.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.0 p -153.42 37.95 0.48 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.756 1.223 . . . . 0.0 113.28 -171.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 t -70.75 120.73 16.79 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.505 -1.372 . . . . 0.0 111.979 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 55.41 29.65 13.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.307 1.843 . . . . 0.0 115.905 172.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -120.63 -179.23 3.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.518 1.527 . . . . 0.0 113.677 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.5 tp -55.24 -40.54 71.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.31 1.044 . . . . 0.0 112.884 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 37.4 tp -70.5 -34.09 71.96 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.218 0.607 . . . . 0.0 112.417 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.24 -40.11 96.46 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.339 0.971 . . . . 0.0 113.133 171.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.72 -27.71 68.53 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 173.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.5 mt -76.33 -62.13 1.72 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.169 1.388 . . . . 0.0 112.328 171.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.297 29.6 m-85 -71.76 -20.15 61.92 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 117.671 2.471 . . . . 0.0 117.671 -177.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.88 18.86 80.13 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.378 0.99 . . . . 0.0 114.747 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.2 m -143.53 154.38 59.84 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 125.765 1.626 . . . . 0.0 110.053 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.5 -19.98 18.61 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.823 3.015 . . . . 0.0 113.723 173.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.1 p -163.18 160.71 24.45 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.753 1.621 . . . . 0.0 111.559 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -153.07 175.2 13.25 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.582 1.153 . . . . 0.0 108.349 174.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.8 t -130.14 131.06 45.51 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.294 -0.879 . . . . 0.0 113.012 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -3.21 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 126.182 1.793 . . . . 0.0 114.663 172.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -65.79 -30.05 70.63 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.507 1.123 . . . . 0.0 112.229 169.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -116.28 74.86 0.92 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.602 1.561 . . . . 0.0 112.621 -174.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -50.8 -34.36 27.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.781 1.232 . . . . 0.0 113.383 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.8 -37.63 43.67 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.878 1.671 . . . . 0.0 114.398 174.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -79.06 -40.5 31.1 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.99 0.916 . . . . 0.0 111.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.6 -43.53 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.116 0.566 . . . . 0.0 110.992 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -56.45 -43.66 79.74 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.255 0.9 OUTLIER -65.75 -34.73 78.84 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 174.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.5 mtm -74.13 -36.47 64.17 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.361 -0.837 . . . . 0.0 112.555 174.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 92.1 mmm -64.64 -40.59 95.71 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.635 0.774 . . . . 0.0 111.677 171.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.34 79.56 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.756 -0.59 . . . . 0.0 111.775 171.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.0 m -70.33 -6.13 32.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.8 mtt -93.79 -5.36 48.41 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.672 1.189 . . . . 0.0 114.052 171.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p -129.18 -39.93 1.51 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.574 1.55 . . . . 0.0 115.087 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -92.46 -178.73 41.15 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.01 1.767 . . . . 0.0 112.869 168.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.01 179.75 40.53 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.264 0.935 . . . . 0.0 114.343 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -76.52 159.17 30.6 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -91.12 171.8 9.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.816 1.246 . . . . 0.0 110.93 168.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.1 tpp -66.8 144.83 56.08 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.81 0.844 . . . . 0.0 111.813 171.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 C-N-CA 125.477 1.513 . . . . 0.0 114.141 -179.348 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 96.4 mmm . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 118.826 -0.607 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.08 145.97 62.84 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.949 2.433 . . . . 0.0 112.033 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -67.43 -19.71 65.41 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.746 1.218 . . . . 0.0 112.937 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -43.18 -49.62 6.46 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 170.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -68.05 -32.14 72.29 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.82 -37.11 86.18 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.315 -0.865 . . . . 0.0 111.717 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -68.64 -45.57 71.47 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -67.27 -36.53 81.78 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.402 1.081 . . . . 0.0 111.965 -177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.59 -32.1 71.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.489 1.116 . . . . 0.0 112.291 172.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -70.86 -19.41 62.64 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.215 1.006 . . . . 0.0 112.433 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.44 -53.18 52.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.185 0.994 . . . . 0.0 111.401 169.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.1 ptp -76.45 -21.69 55.57 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -70.7 41.11 0.06 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.766 1.626 . . . . 0.0 114.166 170.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.19 9.72 38.58 Favored Glycine 0 CA--C 1.541 1.678 0 C-N-CA 125.558 1.552 . . . . 0.0 114.27 170.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.71 -40.12 1.8 Allowed Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.845 1.688 . . . . 0.0 114.066 -172.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.01 -148.77 18.23 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.459 1.504 . . . . 0.0 112.735 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 60.51 82.5 0.16 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.355 2.262 . . . . 0.0 113.351 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -49.6 122.79 6.75 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.183 1.793 . . . . 0.0 112.918 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.7 tp -63.45 140.95 58.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.478 1.111 . . . . 0.0 112.752 -178.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -64.12 148.62 49.47 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.355 6.4 p90 -69.02 38.99 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 172.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -91.21 -16.99 26.78 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.369 1.468 . . . . 0.0 114.72 -173.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.79 36.52 74.8 Favored Glycine 0 CA--C 1.539 1.565 0 CA-C-N 118.79 0.723 . . . . 0.0 113.265 -170.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 mtt -137.04 165.01 27.03 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.89 1.676 . . . . 0.0 112.478 -171.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m -62.97 161.62 12.7 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.067 1.347 . . . . 0.0 113.085 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 t -59.09 126.17 80.64 Favored Pre-proline 0 N--CA 1.474 0.731 0 C-N-CA 123.654 0.782 . . . . 0.0 112.102 174.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.91 135.88 36.59 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.138 2.559 . . . . 0.0 112.065 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -37.96 73.71 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.93 2.196 . . . . 0.0 116.93 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.55 -21.63 63.61 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.92 -156.0 29.75 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.728 1.632 . . . . 0.0 113.773 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.04 53.95 0.82 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.591 1.556 . . . . 0.0 113.711 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.8 -12.18 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.09 171.94 8.61 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.822 2.049 . . . . 0.0 114.931 176.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.2 p -64.39 -13.3 50.16 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 171.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.6 t 62.92 159.21 0.07 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.199 2.2 . . . . 0.0 115.405 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -75.03 -29.97 60.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.521 1.128 . . . . 0.0 112.242 172.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.71 152.67 41.71 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 125.657 1.583 . . . . 0.0 112.26 -174.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -72.39 159.07 50.22 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.44 2.76 . . . . 0.0 113.211 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.47 -175.0 2.64 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.563 1.545 . . . . 0.0 112.805 171.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -71.31 11.92 0.39 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.603 1.961 . . . . 0.0 116.049 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 65.0 -24.8 0.09 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 128.735 2.814 . . . . 0.0 116.607 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -68.62 124.49 23.74 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.791 -1.193 . . . . 0.0 110.513 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -142.72 146.39 34.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.528 1.131 . . . . 0.0 113.243 -173.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.55 148.76 51.03 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -177.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.94 146.76 33.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.561 0.744 . . . . 0.0 111.094 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -100.18 -22.58 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 -173.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 53.37 76.31 0.54 Allowed Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.85 2.06 . . . . 0.0 112.835 -168.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HB3' HD23 ' A' ' 40' ' ' LEU . 24.0 Cg_exo -62.61 155.54 58.07 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.374 2.716 . . . . 0.0 113.995 -174.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 43.3 mtmt -60.19 149.47 75.3 Favored Pre-proline 0 N--CA 1.479 0.987 0 C-N-CA 123.863 0.865 . . . . 0.0 111.549 169.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -61.11 -32.57 91.56 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.747 2.298 . . . . 0.0 112.814 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.46 -37.67 84.43 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.535 1.134 . . . . 0.0 112.383 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 112' ' ' MET . 53.8 tp -76.36 -46.35 27.87 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.733 0.813 . . . . 0.0 111.543 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.09 -38.44 68.11 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.627 0.771 . . . . 0.0 112.093 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -56.0 -42.06 75.83 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.316 1.046 . . . . 0.0 113.234 170.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.27 -44.64 87.4 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.002 0.921 . . . . 0.0 111.684 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mt -61.64 -42.68 99.24 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.859 0.754 . . . . 0.0 111.228 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.67 -21.53 61.06 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -66.06 -23.07 66.46 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.668 0.787 . . . . 0.0 112.741 168.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.2 m -104.53 16.28 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.668 1.587 . . . . 0.0 113.678 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.33 23.67 46.87 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 116.519 1.368 . . . . 0.0 116.519 169.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.56 133.75 55.53 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 119.199 1.5 . . . . 0.0 111.97 173.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -87.15 -45.55 10.57 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -169.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -89.22 173.66 8.28 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.799 2.04 . . . . 0.0 112.594 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -102.29 -3.93 26.44 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 p -135.95 145.15 45.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.206 1.402 . . . . 0.0 108.504 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -149.48 162.47 40.06 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.199 1.8 . . . . 0.0 114.767 -170.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -83.52 165.97 18.66 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.76 1.224 . . . . 0.0 113.286 167.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.4 mmt -53.29 -42.37 66.54 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.253 -0.905 . . . . 0.0 112.575 171.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.85 -44.17 86.27 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.159 0.984 . . . . 0.0 112.098 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -65.69 -41.01 92.91 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.52 -49.11 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.442 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 mt -58.92 -43.7 91.16 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.268 0.94 . . . . 0.0 111.3 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.268 31.0 t80 -51.41 -59.6 4.06 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 172.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -60.55 -41.67 94.99 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.54 -40.52 97.05 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.733 1.213 . . . . 0.0 111.554 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.56 -38.08 95.25 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 119.275 -0.736 . . . . 0.0 113.381 172.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -62.9 -37.61 87.64 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.8 1.3 . . . . 0.0 111.433 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -67.97 -47.53 68.35 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.226 0.61 . . . . 0.0 110.882 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.03 -39.06 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.012 0.925 . . . . 0.0 111.489 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.0 mtm -66.36 -54.77 20.62 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 173.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -64.46 -33.25 75.45 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -80.83 -12.28 59.46 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.752 1.621 . . . . 0.0 113.89 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 52.55 48.52 22.38 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.51 2.324 . . . . 0.0 113.56 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.0 mt -80.18 -5.61 56.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -176.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -67.53 146.35 54.02 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 170.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.9 130.98 45.44 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -62.58 -27.42 69.18 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -81.22 -62.39 1.67 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.703 1.201 . . . . 0.0 111.302 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -110.12 93.15 4.35 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.811 1.244 . . . . 0.0 111.225 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -66.07 -14.27 61.44 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.208 -0.932 . . . . 0.0 113.441 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -76.24 3.97 9.69 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.778 1.231 . . . . 0.0 113.777 169.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.4 mt -119.01 133.96 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.777 1.631 . . . . 0.0 109.411 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.8 t -106.93 133.74 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.451 1.5 . . . . 0.0 111.646 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.298 51.9 m-85 -103.5 83.69 2.2 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.418 1.887 . . . . 0.0 115.542 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 m -73.57 -15.52 61.28 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.157 1.783 . . . . 0.0 113.462 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -52.46 138.11 28.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.435 1.494 . . . . 0.0 114.292 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 58.55 16.23 4.12 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.951 2.1 . . . . 0.0 115.927 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -120.9 167.79 12.17 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.716 1.607 . . . . 0.0 113.761 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.97 -35.83 35.68 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.671 1.188 . . . . 0.0 112.463 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.79 -37.12 85.44 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.606 -0.684 . . . . 0.0 112.755 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.97 -36.46 51.98 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.188 0.899 . . . . 0.0 112.758 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -61.47 -31.55 71.52 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 170.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.8 mt -74.19 -62.57 1.47 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.972 1.309 . . . . 0.0 112.262 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.263 43.7 m-85 -68.34 -24.77 64.85 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 -174.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.94 16.31 79.47 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.063 0.84 . . . . 0.0 114.738 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.28 153.41 68.8 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 125.995 1.718 . . . . 0.0 109.592 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.42 -25.5 21.42 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.381 2.721 . . . . 0.0 113.425 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.3 p -163.97 163.37 23.49 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.086 1.354 . . . . 0.0 112.675 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -154.41 157.69 38.89 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.472 1.109 . . . . 0.0 110.529 170.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.5 t -93.31 132.34 37.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.844 0.858 . . . . 0.0 111.969 169.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.22 -17.37 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.245 1.818 . . . . 0.0 113.742 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -62.67 -33.13 74.42 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 175.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -88.64 100.44 13.1 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 122.328 1.061 . . . . 0.0 113.083 172.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -68.62 -53.28 23.6 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.223 -176.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -57.14 -35.04 69.02 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.053 1.741 . . . . 0.0 113.362 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -64.6 -44.71 89.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.681 1.193 . . . . 0.0 111.221 175.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.8 mt -66.1 -47.46 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 119.038 -0.506 . . . . 0.0 110.92 173.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -55.33 -46.6 76.33 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -61.48 -40.65 95.33 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 75.2 mtm -67.44 -45.86 74.8 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.697 -0.627 . . . . 0.0 112.132 174.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -78.2 -21.13 50.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.722 0.809 . . . . 0.0 112.217 -173.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.58 -24.99 66.42 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.947 -1.096 . . . . 0.0 112.065 168.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -70.06 -16.34 63.13 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.717 -1.24 . . . . 0.0 112.26 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.488 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 35.9 mtt -83.63 4.0 30.35 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.112 1.365 . . . . 0.0 113.023 171.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p -130.98 -37.18 1.3 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.185 1.794 . . . . 0.0 114.567 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.52 -160.62 33.47 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.904 1.716 . . . . 0.0 114.69 169.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.5 131.17 3.33 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.592 1.568 . . . . 0.0 113.543 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -78.23 -39.87 39.02 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.137 0.975 . . . . 0.0 113.192 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -157.13 137.43 12.85 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.218 1.407 . . . . 0.0 111.436 -175.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 78.8 mtm -87.22 150.89 23.61 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.426 1.091 . . . . 0.0 112.342 171.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 C-N-CA 125.071 1.32 . . . . 0.0 113.056 178.256 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 60.3 ttm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -70.73 150.3 62.1 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.049 2.499 . . . . 0.0 112.113 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -66.04 -19.0 65.71 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.326 1.051 . . . . 0.0 112.827 173.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -44.91 -49.37 11.06 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 171.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -68.86 -30.77 69.36 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -172.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -65.18 -41.29 94.76 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.324 -0.86 . . . . 0.0 111.5 172.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -63.36 -41.78 98.85 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 169.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -70.12 -38.25 75.53 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.636 0.775 . . . . 0.0 111.668 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.69 -30.82 71.85 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.977 -1.077 . . . . 0.0 111.932 173.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -29.03 70.1 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.678 1.191 . . . . 0.0 112.91 177.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.37 -53.4 58.59 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.403 0.681 . . . . 0.0 111.299 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.3 ptp -81.24 -28.36 34.84 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -172.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.02 -39.0 30.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.473 1.109 . . . . 0.0 113.07 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.76 -50.36 6.03 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.868 0.747 . . . . 0.0 112.698 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.56 -179.04 5.09 Favored Glycine 0 CA--C 1.542 1.719 0 C-N-CA 125.25 1.405 . . . . 0.0 115.059 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.24 160.74 34.38 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 121.683 -0.892 . . . . 0.0 113.417 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.66 -14.25 57.45 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -170.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -71.25 -17.5 62.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.336 1.054 . . . . 0.0 113.508 173.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.97 135.63 36.99 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.273 1.029 . . . . 0.0 111.62 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.398 72.9 m-85 63.93 149.17 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 119.634 3.198 . . . . 0.0 119.634 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -89.83 -20.88 22.93 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 -177.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -156.84 165.59 35.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.765 1.626 . . . . 0.0 111.673 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.56 -132.97 12.1 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.969 0.795 . . . . 0.0 112.963 177.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.4 mmt -60.8 139.49 57.91 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.785 0.834 . . . . 0.0 112.135 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.0 t -68.14 -25.77 65.45 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.01 135.33 11.93 Favored Pre-proline 0 N--CA 1.474 0.732 0 C-N-CA 126.931 2.092 . . . . 0.0 111.34 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -78.82 48.54 2.82 Favored 'Trans proline' 0 CA--C 1.549 1.247 0 C-N-CA 124.781 3.654 . . . . 0.0 112.94 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -55.25 32.3 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.921 2.193 . . . . 0.0 116.921 -173.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -154.33 161.19 41.91 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -174.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.07 158.46 48.11 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.369 0.985 . . . . 0.0 114.111 175.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.21 154.0 41.27 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.332 1.053 . . . . 0.0 113.292 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -143.34 148.6 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 125.966 1.706 . . . . 0.0 110.892 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 p -87.22 -13.68 43.18 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 175.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 t -152.16 177.91 10.03 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.689 1.996 . . . . 0.0 112.947 -178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.6 t -69.54 91.76 0.6 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.226 1.011 . . . . 0.0 111.39 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -159.36 170.57 21.52 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.76 2.024 . . . . 0.0 111.148 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 pp -68.46 156.78 89.74 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.57 0.748 . . . . 0.0 111.756 168.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -57.74 125.41 18.61 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.161 2.574 . . . . 0.0 113.255 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.41 -32.58 54.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.589 0.756 . . . . 0.0 112.569 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 t -162.28 170.57 18.72 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.679 1.992 . . . . 0.0 110.119 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -145.35 150.88 37.39 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.657 1.583 . . . . 0.0 111.188 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -68.2 133.97 49.7 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.423 0.63 . . . . 0.0 111.792 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -78.63 46.88 0.68 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.837 1.655 . . . . 0.0 112.509 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.88 120.0 7.71 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.6 mt -90.62 138.43 31.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.651 0.78 . . . . 0.0 113.025 -168.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 m -99.05 -24.21 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 53.67 77.98 0.42 Allowed Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 126.949 2.1 . . . . 0.0 112.287 -168.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.431 ' CB ' HD23 ' A' ' 40' ' ' LEU . 58.7 Cg_endo -70.95 152.88 63.55 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 122.743 2.295 . . . . 0.0 111.842 176.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.495 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 0.1 OUTLIER -65.75 155.81 85.09 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 123.369 0.668 . . . . 0.0 111.956 178.229 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -57.5 -33.14 95.95 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.109 2.54 . . . . 0.0 114.444 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.7 tp -63.05 -34.37 77.42 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.301 1.041 . . . . 0.0 112.602 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 112' ' ' MET . 50.6 tp -76.9 -42.91 37.71 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 123.883 0.873 . . . . 0.0 111.252 174.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.3 tp -55.89 -40.15 72.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.207 0.603 . . . . 0.0 112.084 175.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -56.09 -45.44 79.39 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.051 0.94 . . . . 0.0 112.241 170.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.19 -45.47 88.2 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.854 0.861 . . . . 0.0 111.698 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.6 mt -61.13 -43.3 99.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.707 0.803 . . . . 0.0 110.745 176.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -75.26 -19.14 59.88 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 p -64.54 -27.26 68.84 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 118.955 0.798 . . . . 0.0 112.195 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -99.51 14.91 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.399 1.48 . . . . 0.0 113.237 169.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.69 29.31 32.68 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 116.042 1.177 . . . . 0.0 116.042 169.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.35 136.49 57.94 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 119.211 1.505 . . . . 0.0 110.987 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -91.53 -17.72 25.23 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -167.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -104.9 169.63 8.33 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.826 2.051 . . . . 0.0 115.094 -171.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -93.43 -19.56 21.16 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.683 1.993 . . . . 0.0 116.172 169.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 p -142.93 152.29 41.87 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.704 2.002 . . . . 0.0 108.049 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -145.36 163.59 34.1 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.922 1.289 . . . . 0.0 114.42 -169.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -83.55 161.5 21.18 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.748 1.219 . . . . 0.0 114.117 166.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.1 mmt -54.79 -43.06 72.53 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.887 -1.133 . . . . 0.0 112.42 173.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -71.37 -33.83 69.89 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.233 1.013 . . . . 0.0 112.832 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.68 -45.05 84.32 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 170.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.88 -45.41 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.099 0.56 . . . . 0.0 109.98 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.65 -47.27 85.02 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.931 0.787 . . . . 0.0 111.539 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -52.46 -57.53 9.59 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 174.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -62.1 -38.17 87.86 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.6 tp -65.61 -41.45 92.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.911 0.885 . . . . 0.0 111.838 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.45 -42.2 99.72 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 121.432 -0.792 . . . . 0.0 112.672 173.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -61.09 -37.26 82.08 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 117.794 0.797 . . . . 0.0 112.664 171.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -64.06 -50.03 70.01 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.03 -37.45 77.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.296 1.038 . . . . 0.0 111.486 177.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.8 mtm -64.73 -52.18 58.41 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 173.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -66.5 -35.26 79.82 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -77.96 -19.38 54.65 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.816 1.646 . . . . 0.0 114.014 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 56.0 46.29 22.12 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.234 2.214 . . . . 0.0 113.404 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.7 mt -76.62 -12.03 59.95 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -67.11 151.83 46.87 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -65.3 130.54 43.71 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.387 -0.82 . . . . 0.0 111.543 167.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -56.45 -29.67 61.95 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -86.99 -64.44 1.15 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.21 1.004 . . . . 0.0 110.922 174.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -86.96 74.63 9.69 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.025 1.33 . . . . 0.0 110.351 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -67.57 -14.5 62.99 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.304 -0.873 . . . . 0.0 112.832 -174.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -80.15 4.04 18.63 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.131 1.372 . . . . 0.0 113.916 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.5 mt -124.99 129.93 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.527 1.531 . . . . 0.0 110.285 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.0 t -101.31 136.46 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.952 1.701 . . . . 0.0 110.626 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.267 73.9 m-85 -110.93 62.21 0.61 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.054 2.141 . . . . 0.0 115.042 -178.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.8 p -69.48 2.53 3.02 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -171.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.7 t -48.79 133.07 17.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.319 1.448 . . . . 0.0 113.869 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 59.93 1.09 0.3 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.634 2.374 . . . . 0.0 116.798 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -85.56 167.92 14.96 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 120.962 -1.087 . . . . 0.0 111.9 175.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.2 tp -53.37 -36.93 61.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.049 0.94 . . . . 0.0 111.418 168.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.88 -35.06 76.43 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.92 -36.54 92.98 Favored Glycine 0 CA--C 1.532 1.134 0 O-C-N 121.571 -0.706 . . . . 0.0 112.691 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.84 -26.92 65.4 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.424 1.638 . . . . 0.0 115.424 171.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.5 mt -78.7 -53.68 6.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.075 1.35 . . . . 0.0 112.454 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.27 32.9 m-85 -70.32 -24.19 62.97 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 117.229 2.307 . . . . 0.0 117.229 175.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.59 19.42 79.88 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.468 1.032 . . . . 0.0 114.625 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.89 154.52 62.25 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 125.671 1.588 . . . . 0.0 110.209 -175.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -71.62 -24.0 22.44 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.379 2.72 . . . . 0.0 113.373 173.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.8 p -161.73 159.8 27.68 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.022 1.329 . . . . 0.0 112.171 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.52 153.67 31.85 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.961 0.904 . . . . 0.0 109.547 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.8 t -90.04 128.64 36.33 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.952 0.901 . . . . 0.0 112.284 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.94 -29.56 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.473 1.509 . . . . 0.0 113.122 172.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -66.38 -29.49 69.67 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.569 1.548 . . . . 0.0 112.532 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -80.82 60.65 4.16 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.453 1.501 . . . . 0.0 111.988 173.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -53.54 -41.58 66.56 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -169.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -62.14 -37.49 85.37 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.22 1.008 . . . . 0.0 113.054 -176.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -64.81 -42.91 94.62 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.955 0.902 . . . . 0.0 110.813 174.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.23 -47.85 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.007 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -57.06 -42.74 81.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.072 1.305 . . . . 0.0 113.275 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.289 0.8 OUTLIER -69.19 -36.19 77.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 175.295 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.2 mtm -69.72 -35.51 75.08 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.105 -0.997 . . . . 0.0 112.614 171.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 90.4 mmm -66.2 -40.36 90.32 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.467 1.107 . . . . 0.0 111.474 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.87 72.01 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.631 -0.668 . . . . 0.0 112.478 171.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.1 m -70.53 -14.95 62.72 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 172.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.495 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 45.3 mtt -81.83 -12.32 58.56 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.729 -1.232 . . . . 0.0 113.116 169.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.29 1.3 p -125.6 14.32 8.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.713 2.005 . . . . 0.0 115.619 -174.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -176.71 -166.63 34.1 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 125.063 1.316 . . . . 0.0 113.045 -177.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.41 -154.47 49.1 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.106 0.86 . . . . 0.0 113.813 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -145.48 148.57 33.4 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.453 1.501 . . . . 0.0 111.176 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -148.23 159.3 44.11 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.284 1.434 . . . . 0.0 111.873 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -153.76 159.23 41.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.351 1.46 . . . . 0.0 111.76 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 C-N-CA 125.293 1.425 . . . . 0.0 113.556 177.462 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 62.7 ttp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -68.78 153.53 72.86 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 122.931 2.421 . . . . 0.0 112.468 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -63.31 -24.24 67.77 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.93 1.292 . . . . 0.0 112.041 171.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -46.12 -48.83 17.2 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 172.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -66.45 -31.0 71.48 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -65.0 -41.47 95.36 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.319 -0.863 . . . . 0.0 111.668 173.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -64.69 -40.2 94.97 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 169.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -73.87 -33.98 64.27 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.139 0.976 . . . . 0.0 111.848 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 15.5 tp -63.21 -31.17 72.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.755 -1.215 . . . . 0.0 111.971 171.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -25.67 67.43 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.924 1.29 . . . . 0.0 112.31 178.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.22 -56.5 18.03 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.36 0.664 . . . . 0.0 111.281 170.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.6 ptp -72.49 -29.65 63.83 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -70.7 -36.25 73.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.547 1.139 . . . . 0.0 112.976 173.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.35 -40.99 17.85 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.186 0.898 . . . . 0.0 113.718 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.57 1.21 15.0 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 117.696 1.839 . . . . 0.0 117.696 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.4 -139.78 6.89 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 120.053 1.926 . . . . 0.0 114.102 -177.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -64.75 -6.85 8.89 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 -173.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -52.79 -33.58 49.44 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.577 1.551 . . . . 0.0 113.761 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.79 -20.56 65.86 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.98 1.312 . . . . 0.0 113.374 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -107.3 -39.31 5.72 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 171.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.285 13.6 t80 -53.71 -21.69 7.61 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 117.098 2.259 . . . . 0.0 117.098 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -54.06 -23.47 13.81 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.312 1.845 . . . . 0.0 113.959 168.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.68 -11.14 64.73 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.695 1.617 . . . . 0.0 114.149 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -152.78 160.04 43.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.591 2.356 . . . . 0.0 108.76 169.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.6 p -60.02 121.01 10.78 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.7 t 64.59 117.85 0.02 OUTLIER Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 127.575 2.35 . . . . 0.0 115.808 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -75.58 170.98 19.1 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 124.608 3.539 . . . . 0.0 112.621 174.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 t -54.74 160.43 1.88 Allowed 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 169.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -58.93 151.86 20.86 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 -172.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -155.16 -174.2 24.79 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 125.083 1.325 . . . . 0.0 113.513 -178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.08 -41.42 0.15 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 128.645 2.778 . . . . 0.0 115.339 -169.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 m -64.91 127.88 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.231 1.013 . . . . 0.0 111.162 170.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.469 0.6 OUTLIER 58.45 5.61 0.46 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 118.855 2.909 . . . . 0.0 118.855 -176.024 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.354 0.2 OUTLIER -71.93 32.6 0.06 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -177.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -70.22 1.34 4.91 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.405 1.882 . . . . 0.0 115.308 -174.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -64.17 -25.75 68.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.535 1.534 . . . . 0.0 113.724 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.2 pt -116.38 158.07 43.98 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.684 1.593 . . . . 0.0 112.089 -177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -58.69 147.04 89.72 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.456 2.771 . . . . 0.0 113.781 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.61 -23.35 56.4 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.0 p -68.52 120.1 14.03 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.118 0.967 . . . . 0.0 112.881 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -83.85 -24.76 30.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.541 1.136 . . . . 0.0 113.349 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 56.93 27.82 13.69 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.177 1.791 . . . . 0.0 114.542 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -66.87 145.35 55.56 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.958 -1.089 . . . . 0.0 113.038 176.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.9 p -77.02 157.49 31.14 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.91 1.284 . . . . 0.0 109.381 174.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.3 mt -78.28 150.96 33.26 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.767 0.827 . . . . 0.0 112.665 173.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.41 HG21 HG21 ' A' ' 113' ' ' THR . 2.2 m -126.08 161.02 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.963 2.505 . . . . 0.0 111.108 168.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.19 90.92 10.48 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 123.41 0.684 . . . . 0.0 109.702 173.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.83 152.91 80.23 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.506 2.138 . . . . 0.0 112.488 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -62.61 157.47 57.36 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 124.146 0.978 . . . . 0.0 112.654 -176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -55.68 -35.58 93.37 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.26 2.64 . . . . 0.0 114.701 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.15 -33.47 75.86 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.088 0.955 . . . . 0.0 112.758 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.8 tp -79.79 -42.9 23.48 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 124.224 1.009 . . . . 0.0 111.281 175.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -55.66 -40.73 72.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.499 0.72 . . . . 0.0 111.767 174.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -54.95 -45.72 74.91 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.446 1.098 . . . . 0.0 112.523 170.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.37 -46.06 85.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.053 0.941 . . . . 0.0 111.372 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.17 -40.46 93.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.803 0.841 . . . . 0.0 110.934 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -71.74 -25.05 61.9 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.0 p -64.81 -26.73 68.47 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.267 0.94 . . . . 0.0 112.232 172.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -98.84 12.17 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.944 1.697 . . . . 0.0 113.367 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.3 28.16 28.51 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.208 1.385 . . . . 0.0 116.433 168.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.66 137.21 45.89 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.415 1.607 . . . . 0.0 111.28 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -89.49 -31.69 17.55 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -168.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -93.14 177.21 6.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.774 1.63 . . . . 0.0 113.649 -169.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -112.61 -0.07 15.26 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.241 1.816 . . . . 0.0 114.786 167.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 p -137.99 143.87 40.85 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.908 2.083 . . . . 0.0 106.962 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -148.26 155.74 41.7 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -170.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 p -77.34 158.11 30.31 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 118.788 0.722 . . . . 0.0 112.686 165.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.6 mmt -58.16 -38.61 76.96 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.85 -1.156 . . . . 0.0 112.863 173.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -66.76 -37.47 84.67 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.123 0.874 . . . . 0.0 112.805 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.77 -47.04 85.22 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.654 1.116 . . . . 0.0 112.648 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.14 -48.02 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 122.996 0.518 . . . . 0.0 110.498 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 mt -57.95 -49.14 77.81 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.752 0.705 . . . . 0.0 111.745 175.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -51.34 -56.01 15.41 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 115.486 1.661 . . . . 0.0 115.486 175.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -62.45 -41.92 99.09 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.94 -39.47 94.71 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.921 0.888 . . . . 0.0 111.591 173.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.49 -51.33 57.09 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 111.557 -0.617 . . . . 0.0 111.557 170.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -59.0 -33.94 71.28 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.969 0.885 . . . . 0.0 112.445 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.03 -49.02 64.03 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.919 0.781 . . . . 0.0 112.114 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.33 -38.61 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.439 1.095 . . . . 0.0 111.123 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 41.9 mtp -67.45 -51.85 46.54 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.321 1.448 . . . . 0.0 113.34 175.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -65.23 -32.84 74.71 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -82.6 -16.36 48.72 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.661 1.585 . . . . 0.0 114.663 172.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 52.92 48.4 22.52 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 127.197 2.199 . . . . 0.0 113.312 -174.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.4 mt -74.21 -11.82 60.39 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -62.75 148.11 47.74 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.77 129.7 41.19 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.332 -0.855 . . . . 0.0 112.744 168.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.12 -28.28 67.73 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -80.96 -68.85 0.65 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.884 0.874 . . . . 0.0 110.109 173.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -100.48 91.01 4.49 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.104 0.962 . . . . 0.0 110.239 -178.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.37 -8.96 44.73 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.203 -0.935 . . . . 0.0 112.844 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -81.22 10.2 5.8 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.897 1.679 . . . . 0.0 113.086 167.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.2 mt -126.54 137.88 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.739 2.015 . . . . 0.0 108.932 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.46 126.26 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 125.62 1.568 . . . . 0.0 110.636 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.29 55.8 m-85 -95.19 65.0 2.79 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 127.061 2.144 . . . . 0.0 115.199 177.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.73 -6.15 24.71 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.868 2.174 . . . . 0.0 116.868 -169.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.3 t -45.84 129.98 9.41 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.736 1.615 . . . . 0.0 114.037 -177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 59.53 -22.42 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 128.692 2.797 . . . . 0.0 117.691 177.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.251 16.2 m-20 -78.08 55.55 1.49 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.295 1.838 . . . . 0.0 115.536 172.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 54.3 tp 60.18 -50.88 0.09 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 129.514 3.126 . . . . 0.0 115.515 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.73 -29.75 70.74 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.169 1.788 . . . . 0.0 114.188 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.46 -32.91 82.82 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.414 -0.804 . . . . 0.0 113.41 172.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -74.08 -25.91 60.08 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 172.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.9 mt -73.47 -54.8 7.39 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.151 0.98 . . . . 0.0 111.603 170.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.266 39.0 m-85 -70.08 -21.36 63.15 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 116.946 2.202 . . . . 0.0 116.946 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.37 22.06 76.47 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.472 1.034 . . . . 0.0 114.262 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.8 m -146.36 155.62 49.89 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.183 1.793 . . . . 0.0 109.523 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.29 -23.93 20.28 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 123.178 2.586 . . . . 0.0 113.379 172.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.3 p -159.82 159.04 32.12 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.3 1.44 . . . . 0.0 112.099 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -150.9 162.82 40.06 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.957 0.903 . . . . 0.0 109.536 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -107.78 114.98 29.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.274 1.429 . . . . 0.0 113.46 -174.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.96 -22.52 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.277 1.431 . . . . 0.0 114.067 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -56.86 -28.53 61.86 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.067 1.747 . . . . 0.0 113.348 169.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -110.93 73.08 0.8 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.105 1.362 . . . . 0.0 111.944 -178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -50.3 -40.56 48.96 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.744 1.218 . . . . 0.0 113.241 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -35.46 47.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.256 1.823 . . . . 0.0 114.175 175.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -81.62 -35.53 29.97 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.23 1.412 . . . . 0.0 111.596 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.05 -45.16 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.236 0.615 . . . . 0.0 110.89 173.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -54.53 -45.87 73.48 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 t -64.89 -36.8 85.53 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.8 mtm -72.2 -39.09 68.86 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.605 -0.684 . . . . 0.0 112.359 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.9 mmm -63.46 -40.44 97.13 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.966 0.907 . . . . 0.0 111.754 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.47 -29.09 70.43 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.601 0.76 . . . . 0.0 112.777 174.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.7 m -74.97 -16.56 60.63 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 176.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 58.9 mtt -79.35 -1.79 38.56 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.41 HG21 HG21 ' A' ' 34' ' ' VAL 0.269 2.0 p -116.7 10.0 14.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.297 1.839 . . . . 0.0 115.634 -176.378 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -155.45 -162.07 11.05 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.314 1.435 . . . . 0.0 113.507 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.94 -165.71 54.79 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.343 0.973 . . . . 0.0 113.825 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -150.2 150.01 31.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.831 1.252 . . . . 0.0 112.247 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -75.55 153.74 37.23 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.185 1.394 . . . . 0.0 112.381 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 24.6 ptp -76.33 -10.69 59.59 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.196 0 C-N-CA 125.793 1.664 . . . . 0.0 113.438 -177.171 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 118.604 -0.712 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.14 168.21 19.77 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.493 2.795 . . . . 0.0 113.205 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -134.13 152.67 51.94 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.382 1.473 . . . . 0.0 112.621 175.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -50.01 -48.3 52.64 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -66.02 -27.3 68.01 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -62.02 -39.5 92.5 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.307 -0.871 . . . . 0.0 111.447 174.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -71.45 -42.72 67.84 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -67.77 -34.84 77.59 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.53 0.732 . . . . 0.0 111.834 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.58 -32.48 70.41 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.396 1.079 . . . . 0.0 112.434 174.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -73.12 -19.08 61.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.908 0.883 . . . . 0.0 112.899 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 73.5 mt -64.54 -55.63 19.28 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.512 0.596 . . . . 0.0 110.842 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.21 -23.55 64.84 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -172.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.33 -28.9 69.03 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 171.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.37 -15.36 15.87 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 124.95 1.262 . . . . 0.0 115.388 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.45 179.6 45.9 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.44 1.495 . . . . 0.0 115.258 -174.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.91 -0.17 87.4 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.733 1.158 . . . . 0.0 115.052 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -153.61 155.91 36.98 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.073 1.749 . . . . 0.0 110.674 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -63.86 160.92 16.46 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.648 1.179 . . . . 0.0 112.915 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.14 140.55 55.75 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.105 0.962 . . . . 0.0 111.898 176.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -65.41 -35.7 81.71 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 -169.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -151.26 146.84 26.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.962 1.705 . . . . 0.0 115.095 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -59.91 -28.04 67.25 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.24 -11.25 85.52 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.027 0.822 . . . . 0.0 115.107 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 95.1 mtp -82.29 70.55 9.25 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.888 1.344 . . . . 0.0 111.893 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.2 m -61.81 100.55 0.16 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.876 0.87 . . . . 0.0 109.326 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.5 t 66.83 127.28 0.03 OUTLIER Pre-proline 0 N--CA 1.48 1.045 0 C-N-CA 125.989 1.716 . . . . 0.0 110.843 -166.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -61.04 119.62 6.87 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.02 2.48 . . . . 0.0 113.154 -170.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.98 142.89 57.69 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 176.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -59.7 -21.5 60.68 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 174.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.8 -3.4 21.52 Favored Glycine 0 CA--C 1.539 1.552 0 C-N-CA 125.231 1.396 . . . . 0.0 115.236 171.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -22.47 64.29 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.206 1.503 . . . . 0.0 113.328 172.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -75.26 -22.48 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 172.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.315 0.2 OUTLIER -71.85 -3.41 22.14 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 117.418 2.377 . . . . 0.0 117.418 -174.071 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 p -62.64 -19.37 63.73 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 170.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.4 m 58.67 22.35 9.81 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.97 1.708 . . . . 0.0 115.141 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -65.53 150.55 48.2 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.133 0.973 . . . . 0.0 112.307 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.09 141.23 96.3 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 123.916 0.886 . . . . 0.0 110.377 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -64.72 -32.67 56.63 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.966 2.444 . . . . 0.0 114.73 -174.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.77 -90.08 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.298 2.239 . . . . 0.0 114.509 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.1 t -150.84 149.03 29.19 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.383 1.873 . . . . 0.0 110.666 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -66.04 -28.08 68.58 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.61 0.764 . . . . 0.0 112.685 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 45.54 55.69 6.43 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.793 2.037 . . . . 0.0 113.912 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -63.61 130.76 45.62 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.595 -1.315 . . . . 0.0 110.985 170.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -130.19 142.89 50.54 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -173.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.5 mt -70.77 149.21 47.11 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -169.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.96 169.27 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 130.013 3.325 . . . . 0.0 109.99 168.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -112.3 91.4 16.27 Favored Pre-proline 0 N--CA 1.472 0.637 0 O-C-N 121.893 -0.504 . . . . 0.0 111.403 172.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -62.96 148.85 93.02 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.646 2.231 . . . . 0.0 112.67 175.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.46 156.71 50.91 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 124.912 1.285 . . . . 0.0 113.007 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -56.09 -35.17 94.54 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.272 2.648 . . . . 0.0 114.636 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.51 -35.66 81.21 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.209 1.004 . . . . 0.0 112.524 175.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.0 tp -79.1 -40.72 30.38 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.753 1.221 . . . . 0.0 111.49 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.1 tp -55.63 -41.08 73.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.795 0.838 . . . . 0.0 111.847 172.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.86 -41.41 82.37 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.8 0.84 . . . . 0.0 112.658 172.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 tt -65.92 -47.7 73.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.028 0.931 . . . . 0.0 111.335 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.68 -41.91 96.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.108 0.963 . . . . 0.0 111.163 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -74.39 -24.16 59.08 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.6 p -64.56 -26.65 68.51 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.189 0.904 . . . . 0.0 112.374 170.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.9 m -98.01 13.38 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.833 1.653 . . . . 0.0 114.263 169.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 22.35 30.02 Favored Glycine 0 CA--C 1.536 1.356 0 N-CA-C 117.0 1.56 . . . . 0.0 117.0 168.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.61 166.04 13.58 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-N 119.626 1.713 . . . . 0.0 112.572 172.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -136.76 -27.62 1.01 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -169.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -83.95 176.9 8.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.478 1.511 . . . . 0.0 113.523 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -101.91 -38.15 7.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.154 1.382 . . . . 0.0 114.084 167.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -99.99 148.71 24.21 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.212 1.805 . . . . 0.0 107.977 172.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -145.26 151.41 38.32 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.612 1.565 . . . . 0.0 113.078 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -73.41 153.29 40.48 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.351 0.978 . . . . 0.0 112.782 167.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 mtp -60.5 -30.91 70.01 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.644 -1.285 . . . . 0.0 112.24 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -68.39 -41.5 80.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.089 1.356 . . . . 0.0 112.413 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.42 -42.89 98.74 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.158 0.89 . . . . 0.0 112.64 172.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.39 -49.73 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.607 0.763 . . . . 0.0 109.467 176.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.65 -47.68 83.62 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.098 0.863 . . . . 0.0 111.356 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -51.77 -50.98 59.62 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 176.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -72.57 -35.26 67.92 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.27 -40.64 96.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.037 0.935 . . . . 0.0 111.595 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.47 -39.52 97.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 121.77 -0.581 . . . . 0.0 112.97 171.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -63.23 -34.74 78.32 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.3 1.05 . . . . 0.0 113.216 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -66.42 -47.43 73.26 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.633 0.652 . . . . 0.0 111.799 173.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.51 -38.47 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.328 1.051 . . . . 0.0 111.604 176.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.1 mtm -65.61 -54.36 28.92 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 173.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 t -63.55 -33.47 75.66 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -79.77 -13.82 59.16 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.636 1.575 . . . . 0.0 114.126 171.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 53.5 46.28 26.48 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.857 2.463 . . . . 0.0 113.224 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.8 mt -78.9 -10.13 59.71 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -173.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -65.48 147.88 52.67 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -67.61 129.86 41.23 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.311 -0.868 . . . . 0.0 113.225 170.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.01 -26.71 68.39 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.222 -0.924 . . . . 0.0 113.298 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -83.47 -67.37 0.8 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.439 1.096 . . . . 0.0 110.955 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -91.92 88.8 6.75 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.333 1.053 . . . . 0.0 110.835 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.61 -17.51 62.95 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -86.63 6.36 31.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.946 1.698 . . . . 0.0 114.207 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -121.97 138.8 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.405 1.482 . . . . 0.0 110.404 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.6 t -114.3 135.7 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.034 1.734 . . . . 0.0 110.7 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -107.58 130.07 54.92 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.283 1.833 . . . . 0.0 114.463 173.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.8 p -146.64 16.49 1.27 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -168.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.9 t -54.71 125.93 21.95 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.15 -0.969 . . . . 0.0 112.295 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 58.32 9.76 1.12 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 127.13 2.172 . . . . 0.0 116.381 -175.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -87.28 166.04 15.2 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.512 1.125 . . . . 0.0 112.501 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.82 -38.69 61.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.1 0.96 . . . . 0.0 112.054 169.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.2 tp -67.49 -35.47 79.21 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.93 -35.0 65.22 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.678 0.656 . . . . 0.0 112.616 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.2 -29.76 70.6 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 170.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.3 mt -74.91 -64.09 1.12 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.904 1.282 . . . . 0.0 112.01 169.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.279 37.5 m-85 -67.29 -21.07 65.7 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 -177.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.85 18.6 78.68 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.66 1.124 . . . . 0.0 114.831 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.3 m -143.16 153.61 60.16 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 125.396 1.478 . . . . 0.0 110.553 -174.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.78 -20.21 20.2 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.753 2.969 . . . . 0.0 113.866 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -164.04 160.62 21.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.792 1.637 . . . . 0.0 111.186 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -154.83 157.05 37.3 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.536 0.684 . . . . 0.0 110.464 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.3 t -92.06 127.72 37.64 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.47 1.108 . . . . 0.0 112.165 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.2 t -66.51 -31.04 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.496 1.518 . . . . 0.0 113.208 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -64.51 -30.62 71.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.358 1.463 . . . . 0.0 112.498 176.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -79.6 58.05 2.62 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.467 1.507 . . . . 0.0 112.514 177.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -51.89 -40.63 60.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.902 1.281 . . . . 0.0 114.39 -169.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -57.77 -42.18 83.53 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.724 1.21 . . . . 0.0 112.788 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -67.66 -41.23 84.09 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.959 0.903 . . . . 0.0 111.868 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.0 mt -61.46 -47.79 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.0 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.59 -44.68 85.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.782 1.174 . . . . 0.0 113.837 -176.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.254 1.5 t -66.35 -40.75 90.01 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 74.1 mtm -65.41 -42.6 92.39 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.574 -0.704 . . . . 0.0 112.111 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -76.73 -32.63 57.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.322 1.049 . . . . 0.0 111.607 -175.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.33 80.18 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.446 -0.784 . . . . 0.0 111.813 172.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 m -64.16 -16.45 61.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.255 1.022 . . . . 0.0 113.739 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.0 mtt -78.22 -3.01 40.54 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.422 1.089 . . . . 0.0 113.459 171.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.269 1.6 p -126.1 9.07 7.37 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -170.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -154.06 -166.11 14.53 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.622 1.582 . . . . 0.0 112.95 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.1 151.5 52.45 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 123.915 0.769 . . . . 0.0 114.109 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -153.63 165.74 34.99 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.61 1.564 . . . . 0.0 111.8 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -64.52 145.94 55.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.006 0.922 . . . . 0.0 110.939 169.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 37.0 ttm -149.42 32.95 0.72 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.207 1.003 . . . . 0.0 112.206 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.394 1.474 . . . . 0.0 112.784 -179.074 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.14 142.45 98.34 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.53 2.82 . . . . 0.0 113.948 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -113.34 -20.29 11.41 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 126.356 1.863 . . . . 0.0 114.326 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -54.13 -50.26 67.33 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -68.44 -30.53 69.43 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -170.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -63.42 -40.58 97.57 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.272 -0.893 . . . . 0.0 111.603 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -64.6 -42.26 95.68 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 168.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -70.86 -36.33 72.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.197 0.599 . . . . 0.0 112.194 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 14.9 tp -64.4 -32.49 74.13 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.931 -1.106 . . . . 0.0 112.477 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -64.1 -30.72 71.77 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.129 1.372 . . . . 0.0 111.696 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.26 -54.21 32.65 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.981 0.913 . . . . 0.0 111.817 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.463 ' SD ' ' HE2' ' A' ' 57' ' ' LYS . 13.0 ptp -67.99 -29.48 68.52 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -173.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -77.94 -13.44 59.88 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 173.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.91 -130.18 4.11 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.917 1.722 . . . . 0.0 113.818 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.38 7.65 88.33 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.951 1.262 . . . . 0.0 116.051 175.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.76 159.8 53.88 Favored Glycine 0 CA--C 1.537 1.429 0 CA-C-N 118.61 1.205 . . . . 0.0 114.203 178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -68.66 -13.69 62.53 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -169.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -57.09 -30.38 64.27 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.922 1.237 . . . . 0.0 114.234 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.88 -22.86 65.08 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 175.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -106.75 -24.4 12.11 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -135.19 127.53 30.3 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.223 1.809 . . . . 0.0 115.162 -176.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 60.36 -21.82 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 118.096 2.628 . . . . 0.0 118.096 176.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.07 -113.52 5.24 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 120.353 1.433 . . . . 0.0 112.902 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.7 ttp 64.76 -49.89 0.33 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 129.012 2.925 . . . . 0.0 115.913 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.9 m -148.86 160.55 43.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.203 1.401 . . . . 0.0 112.549 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 t -63.13 133.66 95.52 Favored Pre-proline 0 N--CA 1.475 0.781 0 C-N-CA 124.583 1.153 . . . . 0.0 111.396 170.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.35 -29.71 54.14 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.515 2.144 . . . . 0.0 113.283 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.3 0.2 OUTLIER -72.18 56.0 0.33 Allowed 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 179.031 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -141.92 153.77 44.62 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.703 1.601 . . . . 0.0 112.457 -173.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.78 6.56 78.3 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 125.058 1.313 . . . . 0.0 115.503 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.98 154.0 42.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.696 1.199 . . . . 0.0 113.202 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.74 141.5 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.555 1.142 . . . . 0.0 112.812 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.297 1.0 OUTLIER -63.61 156.67 25.98 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 172.283 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER -59.62 139.48 57.16 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -171.12 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.2 m 58.93 7.9 0.88 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -76.85 -56.26 4.75 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.477 1.035 . . . . 0.0 110.959 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 mp -77.97 158.85 77.11 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 126.156 1.782 . . . . 0.0 111.834 169.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.51 145.54 88.15 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.844 3.029 . . . . 0.0 113.67 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.61 -19.08 61.53 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -177.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 p -71.95 143.54 49.24 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.794 1.237 . . . . 0.0 113.526 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -157.74 159.61 37.02 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.999 1.719 . . . . 0.0 111.074 177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.05 144.05 25.53 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.517 1.127 . . . . 0.0 111.369 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -146.0 168.55 20.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.935 1.694 . . . . 0.0 112.123 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.45 135.11 57.18 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 175.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.8 mt -74.95 138.56 42.4 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.922 0.889 . . . . 0.0 111.269 174.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.9 m -103.6 -24.79 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -172.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 47.03 81.16 0.26 Allowed Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 127.597 2.359 . . . . 0.0 111.535 -169.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -67.62 159.71 51.36 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.158 1.905 . . . . 0.0 112.807 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -56.79 146.1 59.39 Favored Pre-proline 0 N--CA 1.473 0.713 0 C-N-CA 125.973 1.709 . . . . 0.0 111.928 173.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.1 -31.21 83.3 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.144 2.563 . . . . 0.0 113.429 -171.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.69 -35.98 81.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.135 0.974 . . . . 0.0 111.901 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 tp -72.14 -45.9 58.67 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.381 0.672 . . . . 0.0 111.815 169.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 tp -53.77 -39.96 65.82 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.016 0.526 . . . . 0.0 111.614 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -62.0 -34.29 75.92 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 174.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.19 -39.23 92.01 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.64 -0.663 . . . . 0.0 110.905 170.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.95 -41.68 90.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.124 0.57 . . . . 0.0 111.153 171.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -59.71 -32.25 70.35 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.439 -1.413 . . . . 0.0 112.982 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -65.16 -14.72 61.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.592 1.157 . . . . 0.0 113.573 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.32 22.39 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 126.316 1.847 . . . . 0.0 112.547 170.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.35 23.01 59.5 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 116.583 1.393 . . . . 0.0 116.583 169.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 120.1 9.97 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 118.97 1.385 . . . . 0.0 112.426 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -77.3 -51.95 10.02 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -169.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -71.73 173.42 8.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.432 1.893 . . . . 0.0 112.728 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -112.54 2.52 16.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.479 1.912 . . . . 0.0 115.308 168.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 p -136.57 137.4 40.16 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.448 1.899 . . . . 0.0 106.862 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -143.3 156.96 44.85 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.38 1.472 . . . . 0.0 114.564 -173.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -79.88 162.45 25.01 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 166.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.1 mmt -55.75 -37.14 68.11 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.738 -1.226 . . . . 0.0 112.926 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.463 ' HE2' ' SD ' ' A' ' 0' ' ' MET . 13.1 tptm -63.26 -44.79 94.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.565 1.146 . . . . 0.0 110.888 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -68.38 -42.96 78.33 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.514 1.126 . . . . 0.0 113.295 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.88 -49.29 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.557 0.617 . . . . 0.0 110.486 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.3 mt -58.47 -41.53 85.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.809 0.731 . . . . 0.0 111.816 173.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . 0.253 26.5 t80 -52.93 -58.69 6.11 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 171.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -60.18 -38.85 84.47 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.19 -44.34 88.73 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.205 1.002 . . . . 0.0 111.694 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.75 -41.71 98.83 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.557 -0.714 . . . . 0.0 112.741 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -60.86 -36.74 79.96 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.985 0.893 . . . . 0.0 112.759 171.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -64.88 -49.47 70.36 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.13 -40.05 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.356 1.062 . . . . 0.0 111.387 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 71.2 mtm -63.55 -55.63 22.37 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -64.39 -31.2 72.3 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -81.15 -14.88 57.21 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.586 1.554 . . . . 0.0 114.224 173.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? 52.37 46.72 26.14 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.788 2.035 . . . . 0.0 113.577 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -76.5 -12.49 60.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -67.25 151.2 47.93 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 117.24 2.311 . . . . 0.0 117.24 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -64.13 128.21 34.83 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.464 -0.773 . . . . 0.0 112.549 168.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -58.22 -30.26 66.35 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.293 -0.879 . . . . 0.0 113.247 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -80.15 -68.64 0.66 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.243 1.017 . . . . 0.0 110.983 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -96.42 85.29 3.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.051 0.94 . . . . 0.0 110.606 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.03 -14.35 62.81 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -74.07 0.04 15.01 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.382 1.073 . . . . 0.0 113.229 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.5 mt -114.61 125.11 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.382 1.473 . . . . 0.0 109.7 173.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.4 t -97.7 129.98 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.362 1.465 . . . . 0.0 111.665 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.298 55.3 m-85 -100.06 79.43 2.18 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.397 1.879 . . . . 0.0 115.397 177.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.6 m -69.93 -13.85 62.44 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.355 1.862 . . . . 0.0 113.827 -172.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.4 t -51.89 137.74 25.81 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.269 1.427 . . . . 0.0 113.631 -173.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 58.88 18.15 5.9 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.541 1.936 . . . . 0.0 115.779 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -120.33 167.05 12.71 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.199 1.4 . . . . 0.0 112.317 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.3 tp -51.04 -34.03 27.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.029 1.332 . . . . 0.0 112.09 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.96 -36.54 84.28 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 174.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -70.42 -36.14 69.24 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.918 0.771 . . . . 0.0 112.361 174.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.78 -29.61 70.8 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 170.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.0 mt -75.22 -65.17 0.92 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.035 1.334 . . . . 0.0 112.172 170.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.286 30.0 m-85 -70.99 -19.34 62.54 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 117.752 2.501 . . . . 0.0 117.752 -173.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.99 18.27 77.62 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.083 0.849 . . . . 0.0 114.553 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.0 m -139.11 153.81 71.76 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 125.912 1.685 . . . . 0.0 110.004 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.21 -25.53 26.39 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.235 2.623 . . . . 0.0 113.022 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.2 p -163.42 162.84 25.04 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.143 1.377 . . . . 0.0 112.801 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -152.3 158.67 43.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.477 1.111 . . . . 0.0 109.034 169.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 t -99.08 127.86 45.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.893 0.877 . . . . 0.0 112.105 174.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.02 -16.83 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 127.003 2.121 . . . . 0.0 113.514 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -56.47 -36.0 68.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.08 1.352 . . . . 0.0 112.64 170.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -89.77 101.63 14.32 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 122.583 1.183 . . . . 0.0 113.885 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -63.79 -62.5 1.61 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.324 1.45 . . . . 0.0 112.865 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -58.58 -41.68 86.29 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.523 1.129 . . . . 0.0 112.356 -174.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -60.77 -43.77 97.6 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.59 1.156 . . . . 0.0 111.939 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.8 mt -69.88 -46.99 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 119.166 -0.445 . . . . 0.0 110.529 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -56.09 -46.07 79.17 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 t -64.84 -37.27 87.05 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 175.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.44 -37.74 77.51 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.383 -0.823 . . . . 0.0 112.737 172.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.8 mmm -65.77 -40.4 92.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.868 0.758 . . . . 0.0 111.72 174.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.09 -35.01 77.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.548 -0.72 . . . . 0.0 112.294 173.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 m -68.25 -6.34 23.22 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 60.4 mtt -100.31 3.25 43.27 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.261 1.424 . . . . 0.0 113.647 173.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.344 1.3 p -123.57 15.81 9.57 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.915 1.686 . . . . 0.0 115.07 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -179.53 -174.06 45.21 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 126.419 1.961 . . . . 0.0 112.215 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 75.09 178.16 41.3 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.506 1.051 . . . . 0.0 115.234 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -75.35 161.7 29.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.826 1.25 . . . . 0.0 113.174 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -153.6 162.48 41.21 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.773 1.629 . . . . 0.0 111.088 173.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 77.9 mtm -67.93 152.61 45.28 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.883 0.873 . . . . 0.0 112.836 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.23 0 C-N-CA 125.343 1.449 . . . . 0.0 112.983 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 18.4 tpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 118.646 -0.692 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -66.56 140.93 58.82 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 122.927 2.418 . . . . 0.0 111.872 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -6.02 49.11 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.798 1.239 . . . . 0.0 114.193 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -47.32 -51.45 19.25 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -68.81 -31.97 71.35 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -65.46 -19.87 66.12 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.434 -0.791 . . . . 0.0 112.555 173.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -90.0 -39.13 13.15 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 167.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -70.63 -33.84 71.44 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.396 1.078 . . . . 0.0 112.072 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 18.0 tp -58.46 -30.89 67.31 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.92 -1.112 . . . . 0.0 112.385 174.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.34 -28.86 69.59 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.628 1.571 . . . . 0.0 112.324 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.29 -53.6 41.58 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.302 0.641 . . . . 0.0 111.052 173.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 13.0 ptp -70.15 -23.55 63.02 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -66.52 -18.42 65.36 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.891 1.676 . . . . 0.0 113.063 169.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.92 6.96 56.83 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.54 1.543 . . . . 0.0 115.337 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.04 27.07 71.81 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 118.576 1.188 . . . . 0.0 114.712 172.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.11 -126.1 25.54 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 118.368 1.084 . . . . 0.0 112.056 -173.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 pm0 -68.86 -7.5 35.13 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.208 1.403 . . . . 0.0 114.706 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -70.84 -11.79 61.17 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -140.11 149.86 43.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.294 1.438 . . . . 0.0 111.896 171.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.31 150.86 48.43 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 167.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.302 39.2 t80 -63.03 -65.67 0.65 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 55.38 -11.2 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 128.427 2.691 . . . . 0.0 118.122 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.01 -30.37 0.77 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.941 2.21 . . . . 0.0 115.923 177.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -140.65 167.22 22.67 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.202 1.801 . . . . 0.0 111.612 -175.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.9 t 65.71 -67.29 0.14 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.868 2.467 . . . . 0.0 114.882 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.2 t -61.96 147.26 90.32 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 128.844 2.858 . . . . 0.0 111.241 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -46.18 146.73 4.31 Favored 'Trans proline' 0 CA--C 1.546 1.114 0 C-N-CA 124.607 3.538 . . . . 0.0 114.763 170.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 p -137.57 155.64 48.99 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.058 1.743 . . . . 0.0 114.902 -169.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.5 118.3 9.24 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 176.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.32 -164.73 54.89 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 116.329 1.291 . . . . 0.0 116.329 171.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.9 169.36 23.63 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.515 2.326 . . . . 0.0 109.946 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.271 0.4 OUTLIER -65.19 141.1 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 179.496 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.26 1.2 p -101.74 160.63 14.3 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.564 1.691 . . . . 0.0 115.564 -177.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.403 0.2 OUTLIER 58.41 30.59 19.85 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 174.352 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.6 t -151.45 157.83 42.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.411 1.484 . . . . 0.0 111.695 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -73.02 -23.49 60.62 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.641 1.176 . . . . 0.0 113.733 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.1 pt -87.09 148.96 46.4 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 124.752 1.221 . . . . 0.0 112.159 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -78.74 -28.42 4.18 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.397 2.731 . . . . 0.0 113.254 172.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.97 154.6 22.12 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.957 2.103 . . . . 0.0 110.349 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.5 p -76.9 -27.76 55.08 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -147.14 155.73 42.39 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.255 1.822 . . . . 0.0 111.689 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.8 134.6 44.99 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.127 0.571 . . . . 0.0 111.521 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.5 mp0 -72.28 -170.21 0.6 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.549 1.14 . . . . 0.0 110.552 166.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.27 129.11 20.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 177.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.0 mt -84.5 144.21 28.85 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.65 1.18 . . . . 0.0 112.282 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 m -97.89 -19.7 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -172.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 49.43 69.74 2.5 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 127.187 2.195 . . . . 0.0 113.159 -172.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.53 163.88 37.56 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.22 2.613 . . . . 0.0 113.86 -171.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 112' ' ' MET . 30.9 mtmt -58.32 149.62 58.1 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 124.632 1.173 . . . . 0.0 112.433 175.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -61.65 -31.43 86.56 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.773 2.315 . . . . 0.0 112.545 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.4 -35.68 79.98 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.358 1.063 . . . . 0.0 112.329 172.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.562 HD22 ' HB3' ' A' ' 112' ' ' MET . 55.9 tp -76.05 -45.64 33.24 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 123.225 0.61 . . . . 0.0 111.474 174.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 tp -53.27 -39.9 64.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.057 0.943 . . . . 0.0 111.846 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -55.8 -42.13 75.17 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.611 1.165 . . . . 0.0 113.026 171.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.47 -41.95 88.23 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.145 0.978 . . . . 0.0 111.929 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.4 -42.36 98.78 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.412 0.625 . . . . 0.0 110.947 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -71.01 -22.44 62.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.582 1.153 . . . . 0.0 114.094 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.7 m -64.37 -21.32 66.59 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.784 0.833 . . . . 0.0 112.635 169.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.8 m -109.65 16.17 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.778 1.631 . . . . 0.0 113.112 168.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.37 30.82 39.68 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.986 1.279 . . . . 0.0 115.773 168.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.52 132.08 45.71 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 118.909 1.354 . . . . 0.0 111.118 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -81.51 -39.28 24.97 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -167.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -77.47 165.13 24.76 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.627 1.571 . . . . 0.0 114.928 -173.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -92.12 -15.64 27.43 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.124 1.769 . . . . 0.0 114.276 166.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.5 p -143.88 143.98 31.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.564 1.545 . . . . 0.0 109.352 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -140.61 163.85 31.75 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.034 1.734 . . . . 0.0 112.991 -169.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -86.41 165.96 15.92 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.318 1.447 . . . . 0.0 114.343 167.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.4 mtp -58.89 -41.06 86.24 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.879 -1.138 . . . . 0.0 112.523 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -63.56 -40.14 96.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.687 0.795 . . . . 0.0 112.49 174.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -68.27 -41.98 80.27 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.34 -47.32 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.04 -47.45 85.18 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.699 0.681 . . . . 0.0 111.105 175.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -51.76 -58.45 6.37 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -60.88 -37.31 81.73 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 tp -65.14 -43.63 91.23 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.199 1.0 . . . . 0.0 111.976 173.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.38 -42.4 99.14 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 121.283 -0.886 . . . . 0.0 112.826 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.81 -36.57 79.4 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.85 -0.794 . . . . 0.0 112.352 171.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -64.53 -48.99 73.05 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.9 -38.44 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.497 1.119 . . . . 0.0 111.589 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 73.4 mtm -65.4 -54.53 27.4 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 173.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.6 t -63.85 -32.99 74.7 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -79.96 -17.25 53.44 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.939 1.696 . . . . 0.0 114.133 172.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 52.09 48.02 23.58 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.912 2.485 . . . . 0.0 113.143 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.7 mt -74.74 -11.02 60.06 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -176.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . 0.282 13.4 p90 -68.14 151.44 47.0 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 173.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -61.12 132.05 52.49 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 172.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -60.67 -26.36 67.04 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.226 -0.921 . . . . 0.0 113.352 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -83.96 -69.0 0.67 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.619 1.168 . . . . 0.0 110.932 170.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -92.23 82.6 5.0 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.503 1.121 . . . . 0.0 111.002 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -69.63 -5.81 27.17 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -89.22 3.65 51.28 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.304 1.441 . . . . 0.0 113.582 169.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.53 125.17 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.686 1.594 . . . . 0.0 110.115 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 t -91.25 135.35 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.778 1.631 . . . . 0.0 112.56 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.28 64.1 m-85 -112.66 64.75 0.63 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.036 2.134 . . . . 0.0 114.867 176.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.3 p -68.71 -3.58 12.68 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 -172.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -50.34 145.54 6.15 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.329 1.852 . . . . 0.0 114.877 -176.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 57.3 27.85 14.33 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.49 1.916 . . . . 0.0 115.358 174.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -145.51 174.87 10.78 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.723 1.209 . . . . 0.0 108.629 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.8 tp -53.14 -39.38 63.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.762 1.625 . . . . 0.0 113.109 -175.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.9 -35.83 72.47 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.42 -37.69 94.8 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.654 -0.654 . . . . 0.0 112.178 171.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -65.06 -32.67 74.49 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 170.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.01 -56.68 5.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.872 1.269 . . . . 0.0 112.318 172.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -68.67 -27.58 66.11 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.4 16.4 80.64 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.095 0.855 . . . . 0.0 114.618 -176.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.4 m -139.95 152.77 68.58 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 125.729 1.611 . . . . 0.0 109.771 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -73.8 -25.35 14.59 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.398 2.732 . . . . 0.0 113.665 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.5 p -163.44 161.44 24.28 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.497 1.119 . . . . 0.0 113.141 -176.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -159.94 153.73 22.86 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.866 1.266 . . . . 0.0 110.037 172.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.6 t -86.39 130.37 34.53 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.22 -0.925 . . . . 0.0 111.299 170.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.44 -24.35 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.912 0.885 . . . . 0.0 112.467 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -63.12 -22.17 66.68 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.498 1.519 . . . . 0.0 114.031 174.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -79.14 49.09 0.92 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.945 1.698 . . . . 0.0 112.032 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -50.6 -47.71 58.03 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.682 1.193 . . . . 0.0 113.467 -169.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.16 -40.62 81.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.884 1.274 . . . . 0.0 112.463 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -71.98 -42.9 65.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.815 1.246 . . . . 0.0 111.53 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.8 mt -58.88 -44.37 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.125 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -62.21 -46.67 87.85 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.53 1.059 . . . . 0.0 112.291 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.3 0.7 OUTLIER -64.88 -34.18 77.78 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 178.304 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 64.7 mtm -69.24 -46.65 66.81 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.78 -0.575 . . . . 0.0 111.966 169.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -72.4 -21.57 61.25 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.326 -0.859 . . . . 0.0 112.511 -175.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.4 -26.34 67.79 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.297 -0.877 . . . . 0.0 112.696 169.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.5 p -73.39 -5.03 37.17 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.932 -1.105 . . . . 0.0 113.612 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.562 ' HB3' HD22 ' A' ' 40' ' ' LEU . 35.7 mtt -92.5 -5.14 52.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.294 1.438 . . . . 0.0 112.568 169.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.255 1.5 p -133.17 14.78 4.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.503 2.321 . . . . 0.0 114.843 -178.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -177.48 -154.68 12.5 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.497 1.522 . . . . 0.0 112.907 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -63.38 151.45 48.47 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.531 1.062 . . . . 0.0 114.324 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -66.3 146.4 54.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.314 1.046 . . . . 0.0 113.343 -176.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -74.49 -26.69 60.18 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.257 1.023 . . . . 0.0 112.793 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.1 ttm -66.99 141.84 57.45 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.908 1.283 . . . . 0.0 112.515 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 C-N-CA 125.525 1.536 . . . . 0.0 113.248 179.176 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 62.2 tpp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.15 135.65 63.7 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.144 2.563 . . . . 0.0 113.367 178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -71.86 -19.44 61.96 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.732 1.213 . . . . 0.0 113.229 176.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -51.41 -55.64 17.54 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.96 -27.22 64.56 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.22 -45.55 92.83 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.534 -0.729 . . . . 0.0 111.03 170.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -64.07 -38.15 90.03 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 168.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -68.01 -37.18 81.12 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.016 0.526 . . . . 0.0 111.195 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.54 -45.55 92.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.237 1.015 . . . . 0.0 111.227 169.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -57.75 -36.79 72.58 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.014 1.326 . . . . 0.0 111.789 175.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -59.8 4.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.199 1.4 . . . . 0.0 112.142 175.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -82.22 -14.62 55.26 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.02 -33.0 74.49 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.197 -0.939 . . . . 0.0 111.191 167.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.96 -1.86 90.07 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.732 1.158 . . . . 0.0 115.091 169.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.73 141.1 24.12 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 118.722 1.261 . . . . 0.0 114.527 -173.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.47 33.26 0.04 OUTLIER Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.128 0.871 . . . . 0.0 114.408 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 58.51 13.07 2.34 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.191 1.796 . . . . 0.0 114.924 -172.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -68.46 -10.68 56.99 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.47 14.98 1.08 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 169.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.546 61.2 t80 64.94 25.05 12.73 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 -177.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.447 19.2 p90 54.48 21.92 3.58 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 119.517 3.155 . . . . 0.0 119.517 169.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -136.19 164.3 28.38 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.61 1.564 . . . . 0.0 112.615 -170.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.7 33.68 0.72 Allowed Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.209 1.862 . . . . 0.0 116.058 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.8 ptp -106.81 137.32 45.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.305 1.442 . . . . 0.0 111.561 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -73.78 123.05 23.41 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.713 -0.617 . . . . 0.0 109.514 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.5 t 65.93 138.99 0.05 OUTLIER Pre-proline 0 N--CA 1.484 1.229 0 C-N-CA 125.629 1.572 . . . . 0.0 113.342 -169.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -72.91 57.57 3.21 Favored 'Trans proline' 0 CA--C 1.549 1.232 0 C-N-CA 124.349 3.366 . . . . 0.0 112.452 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.42 0.6 OUTLIER 60.01 -48.85 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 119.196 3.036 . . . . 0.0 119.196 -175.415 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -89.53 -62.13 1.54 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.67 1.588 . . . . 0.0 114.815 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.09 156.45 15.92 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.968 1.27 . . . . 0.0 112.787 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.64 146.27 53.17 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.464 0.706 . . . . 0.0 112.308 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 m -76.04 -15.02 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.299 3.0 p -80.89 28.82 0.34 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 116.59 2.071 . . . . 0.0 116.59 -172.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -26.76 51.59 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 117.648 2.462 . . . . 0.0 117.648 -175.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.9 t -157.34 -48.58 0.07 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.508 1.523 . . . . 0.0 110.817 171.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -69.66 160.32 31.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.557 1.143 . . . . 0.0 111.902 169.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.28 156.34 69.9 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.283 1.433 . . . . 0.0 110.986 169.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.44 137.55 77.83 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.244 2.629 . . . . 0.0 113.145 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.82 76.71 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.8 p -162.79 160.21 24.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.057 1.743 . . . . 0.0 111.421 176.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.2 pm0 -64.45 151.19 44.93 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.139 0.975 . . . . 0.0 112.696 171.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -83.85 147.95 27.26 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.941 0.896 . . . . 0.0 111.006 170.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.5 mp0 -71.97 -9.97 59.12 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -173.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.37 130.33 44.26 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -176.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.64 149.72 24.71 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.516 1.126 . . . . 0.0 112.65 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.3 m -122.05 161.03 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 127.739 2.416 . . . . 0.0 112.409 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -108.42 88.78 5.3 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 124.454 1.102 . . . . 0.0 111.423 173.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -65.92 156.58 63.6 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.438 2.092 . . . . 0.0 112.589 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -55.4 148.34 33.38 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.076 0.95 . . . . 0.0 112.315 174.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -60.95 -31.06 91.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.844 2.363 . . . . 0.0 113.196 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.4 tp -66.28 -37.96 86.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.91 0.884 . . . . 0.0 112.53 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.5 tp -71.61 -44.79 63.78 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.949 0.9 . . . . 0.0 110.991 172.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.8 tp -56.67 -40.0 74.75 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.793 -0.567 . . . . 0.0 112.012 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -59.67 -37.02 77.65 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.456 -0.777 . . . . 0.0 112.826 172.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tt -66.57 -36.28 82.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.076 0.95 . . . . 0.0 112.175 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.8 -42.65 90.46 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.174 -0.954 . . . . 0.0 111.309 170.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -65.17 -23.07 67.0 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.076 1.509 . . . . 0.0 115.076 172.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 m -65.28 -16.83 63.98 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.958 0.799 . . . . 0.0 113.041 170.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 m -116.28 16.86 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.183 1.793 . . . . 0.0 112.843 168.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.53 22.22 58.8 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.416 1.326 . . . . 0.0 116.416 168.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.61 119.49 12.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.136 1.468 . . . . 0.0 111.498 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -71.51 -47.42 55.47 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -168.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -71.84 175.77 5.51 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.833 1.653 . . . . 0.0 113.27 -173.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -117.7 5.48 12.32 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.547 1.939 . . . . 0.0 114.898 168.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.27 138.81 35.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.132 2.173 . . . . 0.0 106.533 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -149.78 154.7 38.88 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -169.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -76.02 159.29 30.97 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.172 0.896 . . . . 0.0 112.966 165.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.8 mmt -57.85 -37.69 74.35 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 120.521 -1.362 . . . . 0.0 113.277 174.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -65.77 -39.99 91.57 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.421 1.088 . . . . 0.0 111.59 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.93 -46.04 83.28 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.414 1.007 . . . . 0.0 113.133 174.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.29 -50.31 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 118.589 0.632 . . . . 0.0 110.391 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.3 mt -59.72 -44.07 93.91 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.551 -0.737 . . . . 0.0 111.926 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -51.1 -56.04 14.65 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 173.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -60.69 -40.4 92.04 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 175.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.5 tp -63.44 -44.01 95.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.306 1.042 . . . . 0.0 111.94 173.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.9 97.82 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 121.368 -0.833 . . . . 0.0 112.504 175.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.97 -31.57 72.71 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.05 0.925 . . . . 0.0 112.583 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -66.98 -51.19 58.17 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 171.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.6 mt -57.37 -40.51 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.918 1.287 . . . . 0.0 111.199 175.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.2 ttm -62.12 -56.67 16.49 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.251 1.42 . . . . 0.0 112.086 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.4 t -65.8 -33.69 76.43 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -77.83 -14.52 59.55 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.025 1.73 . . . . 0.0 113.846 172.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 52.88 45.27 29.1 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.591 2.356 . . . . 0.0 113.464 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.54 -10.07 59.19 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -62.63 148.88 44.97 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -67.82 129.84 41.14 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.17 -0.956 . . . . 0.0 112.106 167.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -59.49 -29.83 68.12 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.133 -0.979 . . . . 0.0 113.132 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -81.42 -62.34 1.68 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.057 0.943 . . . . 0.0 110.741 173.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -99.75 81.48 2.47 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.216 1.406 . . . . 0.0 110.487 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -66.94 -14.52 62.9 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.939 -1.101 . . . . 0.0 113.705 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -75.94 0.59 17.85 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.544 1.138 . . . . 0.0 113.185 169.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.8 mt -119.13 132.62 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.541 1.936 . . . . 0.0 110.103 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.6 t -110.54 127.57 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 126.114 1.766 . . . . 0.0 110.873 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.278 58.2 m-85 -98.09 71.42 2.13 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.673 1.989 . . . . 0.0 115.599 178.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.2 p -67.76 -4.02 11.15 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t -46.22 131.0 10.49 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.937 1.695 . . . . 0.0 113.751 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 59.92 0.12 0.25 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.22 168.56 13.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.632 1.173 . . . . 0.0 111.824 171.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.4 tp -51.04 -42.32 60.4 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.382 1.073 . . . . 0.0 111.236 168.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.42 -33.96 75.82 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.14 -29.49 73.0 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 123.701 0.667 . . . . 0.0 113.479 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -72.78 -28.31 62.52 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 171.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.15 -57.66 3.74 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.931 0.892 . . . . 0.0 111.875 170.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.302 23.9 m-85 -68.49 -25.53 65.02 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 117.458 2.392 . . . . 0.0 117.458 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.15 18.76 78.16 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.091 0.853 . . . . 0.0 114.82 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.44 155.66 69.85 Favored Pre-proline 0 N--CA 1.479 0.98 0 C-N-CA 125.902 1.681 . . . . 0.0 109.936 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.85 -26.04 22.9 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.119 2.546 . . . . 0.0 113.305 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.7 p -160.87 161.94 31.98 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.568 1.147 . . . . 0.0 112.804 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -150.76 157.25 42.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.822 1.249 . . . . 0.0 107.846 172.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.5 p -99.56 135.8 40.44 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.255 -0.903 . . . . 0.0 112.105 172.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.94 -30.28 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.348 1.059 . . . . 0.0 113.168 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -61.43 -32.15 72.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.147 1.379 . . . . 0.0 112.649 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -81.38 71.23 8.38 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 124.037 1.875 . . . . 0.0 112.585 170.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -56.61 -48.19 78.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.58 -2.1 . . . . 0.0 111.284 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -57.27 -38.32 73.71 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.799 1.64 . . . . 0.0 113.413 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -68.72 -40.65 79.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.375 1.07 . . . . 0.0 110.888 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.59 -52.04 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 119.239 -0.41 . . . . 0.0 110.414 171.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -53.45 -44.52 68.96 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 116.861 2.171 . . . . 0.0 116.861 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.254 1.2 t -63.91 -36.41 83.85 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 173.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 76.9 mtm -71.32 -40.0 71.04 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.492 -0.755 . . . . 0.0 112.7 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.2 mmm -65.31 -33.86 76.98 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.312 1.045 . . . . 0.0 112.122 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.25 85.26 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.312 0.645 . . . . 0.0 111.998 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.5 m -66.93 -19.16 65.68 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 40.7 mtt -83.97 -5.31 59.2 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.26 1.0 OUTLIER -132.6 -30.21 1.47 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.373 1.99 . . . . 0.0 116.373 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -118.94 -1.18 14.7 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 125.638 1.59 . . . . 0.0 115.039 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.34 -175.4 50.95 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 118.53 1.165 . . . . 0.0 114.826 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -137.38 159.86 40.72 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.193 1.797 . . . . 0.0 111.488 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -149.5 162.36 40.31 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.087 1.355 . . . . 0.0 111.817 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.3 ttm -148.17 -41.77 0.16 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.54 1.136 . . . . 0.0 113.366 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.186 0 C-N-CA 125.251 1.405 . . . . 0.0 113.165 177.864 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 4.2 ppp? . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.17 119.16 6.17 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.935 2.424 . . . . 0.0 109.971 170.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 63.4 mmt-85 -57.97 -32.67 68.07 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -169.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -73.14 -31.49 64.31 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 118.74 2.866 . . . . 0.0 118.74 173.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 57.2 t-105 -66.06 -39.33 90.0 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -168.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -65.82 -13.17 58.99 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -86.54 -46.76 9.85 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 167.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -67.02 -31.02 71.28 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.229 1.012 . . . . 0.0 112.189 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.78 -29.96 63.16 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.123 -0.985 . . . . 0.0 112.487 172.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -70.98 -24.57 62.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.432 1.093 . . . . 0.0 113.076 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.05 -50.13 67.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.336 0.516 . . . . 0.0 111.372 169.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.5 ptp -73.23 -30.55 63.56 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.437 0.562 . . . . 0.0 111.873 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.33 -39.94 94.9 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.589 1.156 . . . . 0.0 111.678 171.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.33 -6.73 55.32 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.442 1.02 . . . . 0.0 114.069 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.17 -17.56 38.37 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.361 1.458 . . . . 0.0 114.252 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.31 -27.09 70.13 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 119.037 1.418 . . . . 0.0 113.417 169.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -98.1 -35.8 10.29 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.278 1.431 . . . . 0.0 112.345 169.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.256 1.8 p30 60.6 -31.37 0.06 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 130.651 3.58 . . . . 0.0 116.957 -178.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 54.82 13.97 0.82 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 127.035 2.134 . . . . 0.0 115.823 179.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -74.53 -35.62 63.14 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 120.775 -1.203 . . . . 0.0 110.632 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.271 36.8 t80 -76.14 136.35 39.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 173.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -81.56 88.87 6.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.365 1.066 . . . . 0.0 111.48 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.78 159.33 46.11 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.336 0.97 . . . . 0.0 114.268 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -66.47 -22.55 66.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.903 1.281 . . . . 0.0 113.866 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.8 m -142.78 161.84 37.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.373 1.869 . . . . 0.0 111.234 175.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 t -62.71 133.5 95.02 Favored Pre-proline 0 N--CA 1.475 0.819 0 C-N-CA 124.288 1.035 . . . . 0.0 111.937 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.59 45.03 1.65 Allowed 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 124.532 3.488 . . . . 0.0 112.862 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.93 126.35 22.09 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . 0.364 84.3 m-20 60.12 12.69 3.38 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 117.464 2.394 . . . . 0.0 117.464 -171.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.51 165.77 33.45 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.554 1.55 . . . . 0.0 114.679 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.32 155.05 40.59 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.851 1.26 . . . . 0.0 112.46 176.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.67 118.33 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.761 0.824 . . . . 0.0 111.37 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -158.92 160.85 36.54 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.319 1.448 . . . . 0.0 113.645 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.367 0.2 OUTLIER -119.72 15.1 12.69 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.912 1.685 . . . . 0.0 115.011 168.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.9 m 55.83 34.26 23.14 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.146 1.779 . . . . 0.0 114.573 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -63.46 -33.01 74.62 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.365 1.066 . . . . 0.0 113.597 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.7 mm -120.79 144.03 37.97 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.183 1.793 . . . . 0.0 109.5 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -64.43 158.35 49.84 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.474 2.782 . . . . 0.0 114.467 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.7 -6.11 34.75 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.3 m -69.06 1.91 3.16 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -59.64 -12.16 6.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -72.8 52.96 0.32 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.865 1.666 . . . . 0.0 112.274 173.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -70.9 -14.44 62.39 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.314 1.845 . . . . 0.0 114.645 -174.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.82 129.46 41.99 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.1 mt -79.26 150.53 31.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.956 0.903 . . . . 0.0 113.138 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.424 HG23 ' HD3' ' A' ' 36' ' ' PRO . 2.6 m -133.86 158.87 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 127.723 2.409 . . . . 0.0 111.746 169.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.72 92.98 26.52 Favored Pre-proline 0 N--CA 1.472 0.641 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 169.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' HG23 ' A' ' 34' ' ' VAL . 55.4 Cg_endo -69.31 173.31 10.76 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.319 2.679 . . . . 0.0 113.972 -173.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 19.0 ptpt -60.65 150.92 73.59 Favored Pre-proline 0 N--CA 1.481 1.086 0 C-N-CA 124.181 0.992 . . . . 0.0 111.934 173.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -63.85 -28.33 67.48 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 122.936 2.424 . . . . 0.0 114.144 -175.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.92 -35.01 77.14 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.815 0.734 . . . . 0.0 112.197 171.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 tp -76.31 -43.45 41.28 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 122.863 0.465 . . . . 0.0 110.441 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.81 -42.99 76.47 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.388 0.54 . . . . 0.0 111.864 172.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -57.83 -42.68 84.85 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.146 0.978 . . . . 0.0 112.52 171.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.96 -42.2 85.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.144 0.978 . . . . 0.0 111.701 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.2 mt -64.44 -41.96 96.26 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.417 1.087 . . . . 0.0 110.498 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.64 -22.78 62.47 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.9 m -64.19 -20.24 65.88 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.9 m -110.52 15.62 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.916 1.686 . . . . 0.0 113.232 168.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.93 29.31 34.94 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.042 1.306 . . . . 0.0 115.893 168.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.51 138.08 53.05 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.203 1.501 . . . . 0.0 111.214 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -102.08 -13.03 17.67 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 116.272 1.952 . . . . 0.0 116.272 -167.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -91.94 163.01 14.17 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.528 1.131 . . . . 0.0 112.806 -169.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -97.61 -5.03 36.38 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.967 1.707 . . . . 0.0 115.35 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -152.37 150.13 29.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.42 1.888 . . . . 0.0 106.104 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.39 149.77 43.06 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -171.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . 0.255 0.7 OUTLIER -77.1 155.14 32.63 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 166.128 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 84.2 mmm -59.12 -34.05 71.58 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.78 -1.2 . . . . 0.0 112.464 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -73.8 -35.24 64.88 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.863 0.865 . . . . 0.0 112.789 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -62.46 -43.96 97.55 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.113 0.87 . . . . 0.0 112.397 169.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.58 -50.76 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.859 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.1 mt -55.16 -45.23 75.68 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.415 1.007 . . . . 0.0 111.929 175.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -53.88 -57.37 11.17 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 173.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -63.94 -40.36 96.28 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 176.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.97 -42.21 97.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.885 1.274 . . . . 0.0 111.427 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.16 -44.87 97.58 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 123.35 0.5 . . . . 0.0 112.423 173.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -62.89 -32.76 74.09 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.774 1.23 . . . . 0.0 112.545 173.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -65.88 -54.32 28.12 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 171.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.32 -39.12 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.488 1.115 . . . . 0.0 111.14 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.9 ttm -61.9 -57.42 11.82 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.582 1.553 . . . . 0.0 112.03 173.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.33 -35.18 79.72 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -74.8 -14.25 60.67 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.798 1.639 . . . . 0.0 113.367 172.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 53.16 45.81 27.88 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.105 2.162 . . . . 0.0 113.641 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.1 mt -78.11 -5.19 50.83 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.49 1.116 . . . . 0.0 113.982 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -69.32 147.5 51.04 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -64.28 133.67 53.19 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -66.81 -26.97 67.19 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.146 -0.971 . . . . 0.0 113.243 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -84.0 -54.54 4.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.914 1.286 . . . . 0.0 111.56 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.12 100.39 9.94 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.837 1.255 . . . . 0.0 111.385 172.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -60.3 -21.79 62.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.836 0.854 . . . . 0.0 113.25 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -87.32 -2.38 58.58 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.881 1.673 . . . . 0.0 113.998 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.96 135.71 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 119.956 1.253 . . . . 0.0 109.841 174.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 p -114.98 135.46 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.211 1.404 . . . . 0.0 110.361 176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.256 46.0 m-85 -99.53 97.54 8.53 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.162 1.785 . . . . 0.0 115.05 174.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.5 m -77.65 -21.51 52.06 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.181 1.393 . . . . 0.0 112.409 -176.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.0 p -58.89 150.69 23.53 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.954 1.301 . . . . 0.0 113.543 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 59.14 17.34 5.52 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.96 1.704 . . . . 0.0 115.114 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -137.37 165.76 25.45 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.571 1.548 . . . . 0.0 112.162 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.1 tp -49.37 -36.58 22.04 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.301 1.44 . . . . 0.0 112.204 169.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.0 tp -55.03 -35.18 64.17 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.16 -32.52 84.21 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.048 0.833 . . . . 0.0 113.57 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.01 -26.12 61.21 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.83 -60.44 2.23 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.811 0.845 . . . . 0.0 111.302 169.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.284 44.2 m-85 -74.74 -24.0 58.65 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 118.54 2.792 . . . . 0.0 118.54 -173.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.86 15.91 74.17 Favored Glycine 0 CA--C 1.54 1.626 0 N-CA-C 114.79 0.676 . . . . 0.0 114.79 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.44 153.9 74.87 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 126.28 1.832 . . . . 0.0 109.011 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.47 -28.07 22.3 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.223 2.615 . . . . 0.0 113.334 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.2 p -166.09 162.7 17.96 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.253 1.421 . . . . 0.0 112.185 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -154.76 159.23 40.51 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.224 0.61 . . . . 0.0 111.977 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.9 t -87.15 125.8 34.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.518 0.727 . . . . 0.0 110.415 168.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.0 -22.84 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.952 1.701 . . . . 0.0 112.386 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -69.42 -12.88 62.03 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 171.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -77.1 49.76 0.7 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.739 1.215 . . . . 0.0 111.588 173.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -53.27 -43.59 67.57 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.708 1.203 . . . . 0.0 112.692 -169.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -58.93 -34.61 71.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.478 1.111 . . . . 0.0 113.806 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -75.58 -45.99 34.49 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.37 1.068 . . . . 0.0 110.763 173.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.47 -42.83 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.278 0.631 . . . . 0.0 110.831 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -57.57 -44.9 85.65 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.311 1.0 OUTLIER -67.34 -34.91 78.31 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 173.293 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.1 mtm -65.8 -40.07 91.56 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.225 -0.922 . . . . 0.0 112.378 170.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.5 mmm -65.34 -40.83 94.16 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.102 0.961 . . . . 0.0 111.892 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.22 81.64 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.602 0.761 . . . . 0.0 112.542 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.2 t -60.92 -34.83 75.29 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.089 -1.007 . . . . 0.0 112.637 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.4 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 35.1 mtt -69.08 -9.69 53.87 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 176.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 p -121.42 -30.82 4.18 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.38 -30.31 50.19 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.714 1.15 . . . . 0.0 113.886 169.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.26 168.35 29.97 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.042 1.306 . . . . 0.0 115.196 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.25 65.96 6.6 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.739 1.615 . . . . 0.0 111.622 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -64.33 -15.65 60.73 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -172.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.1 tpp -63.73 -29.32 70.56 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.605 1.162 . . . . 0.0 113.103 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 CA-C-O 118.028 -1.429 . . . . 0.0 114.117 -178.916 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 119.008 -0.52 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.6 139.47 48.8 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.029 2.486 . . . . 0.0 111.349 173.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 156.51 33.01 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.806 0.842 . . . . 0.0 112.727 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -38.02 -44.31 0.8 Allowed 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 118.648 2.833 . . . . 0.0 118.648 177.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -61.42 -30.36 70.52 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.52 -19.63 65.83 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.108 -0.995 . . . . 0.0 113.299 176.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -87.43 -43.43 12.09 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 167.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -65.68 -34.48 78.3 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.497 1.119 . . . . 0.0 112.042 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.14 -32.91 64.7 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.195 0.998 . . . . 0.0 112.69 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -72.38 -20.26 61.48 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.593 1.157 . . . . 0.0 112.877 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.58 -47.07 80.05 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.229 0.468 . . . . 0.0 110.347 168.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 19.0 mtm -76.88 -35.71 57.24 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.323 0.649 . . . . 0.0 111.973 -174.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.35 -16.81 64.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.422 1.089 . . . . 0.0 113.468 169.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.94 -129.13 5.0 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.949 1.737 . . . . 0.0 113.793 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.31 -139.95 33.06 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.188 1.375 . . . . 0.0 112.705 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.08 -112.26 2.78 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.836 1.208 . . . . 0.0 113.659 170.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -65.47 -21.68 66.67 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.682 1.193 . . . . 0.0 114.191 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.31 -51.05 9.94 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.38 -0.825 . . . . 0.0 111.671 175.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -163.21 146.26 10.45 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.325 1.85 . . . . 0.0 109.737 174.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -146.94 -49.97 0.19 Allowed 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -66.44 165.19 14.79 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 169.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -64.85 110.76 2.53 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.409 -0.807 . . . . 0.0 110.36 171.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.78 -12.36 84.59 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-O 118.783 -1.009 . . . . 0.0 115.48 -171.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 62.7 mtt 53.2 60.36 3.8 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.491 1.516 . . . . 0.0 111.455 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.9 m 61.33 48.84 5.76 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.163 1.785 . . . . 0.0 112.961 -168.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 t 68.79 130.37 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 125.953 1.701 . . . . 0.0 113.67 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -64.62 -31.15 60.1 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.593 2.196 . . . . 0.0 113.878 -173.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 t -153.96 140.21 18.54 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.375 1.47 . . . . 0.0 113.677 169.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -83.1 168.03 17.26 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-O 121.862 0.839 . . . . 0.0 110.247 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.55 -10.27 38.29 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 125.144 1.354 . . . . 0.0 113.877 -169.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.15 149.12 49.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.835 1.254 . . . . 0.0 111.635 169.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 m -136.76 161.45 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.889 1.676 . . . . 0.0 111.851 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.288 1.2 p -65.79 141.18 58.39 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 176.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.67 136.78 26.1 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.829 1.651 . . . . 0.0 114.316 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.7 m -55.53 130.5 43.12 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -172.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -146.9 167.5 23.8 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.536 1.934 . . . . 0.0 111.256 -175.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.4 pt -68.64 149.63 97.9 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 123.284 0.634 . . . . 0.0 111.935 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -61.06 164.76 13.66 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.36 2.707 . . . . 0.0 114.833 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.04 154.94 17.97 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.265 1.026 . . . . 0.0 112.767 172.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.1 t -62.1 126.21 26.54 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.141 0.976 . . . . 0.0 113.314 -173.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -68.99 -15.24 63.43 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.863 1.265 . . . . 0.0 113.072 176.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -70.45 -23.75 62.76 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.464 1.106 . . . . 0.0 113.265 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 62.75 137.32 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 128.215 2.606 . . . . 0.0 116.353 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.84 126.12 18.62 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.2 mt -74.51 149.55 40.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.456 1.102 . . . . 0.0 112.586 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.8 -21.44 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -175.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 51.79 83.29 0.23 Allowed Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 127.513 2.325 . . . . 0.0 112.713 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.63 163.2 33.83 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.83 2.353 . . . . 0.0 113.262 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -54.14 142.12 48.38 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.831 2.052 . . . . 0.0 111.576 172.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -55.4 -34.1 87.92 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.102 2.535 . . . . 0.0 114.963 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.4 -34.36 77.78 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.84 0.856 . . . . 0.0 112.874 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.4 tp -74.44 -42.85 58.41 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.14 0.976 . . . . 0.0 110.912 172.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.64 HD11 ' HE2' ' A' ' 45' ' ' LYS . 53.8 tp -56.59 -37.87 71.23 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.6 0.76 . . . . 0.0 112.297 174.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -60.25 -36.6 78.15 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.567 1.147 . . . . 0.0 112.956 171.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -47.06 86.96 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.247 1.019 . . . . 0.0 110.459 173.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.79 -40.69 97.27 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.505 -0.747 . . . . 0.0 111.531 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.64 ' HE2' HD11 ' A' ' 41' ' ' LEU . 57.1 mttm -70.7 -20.73 62.65 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 176.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.0 m -66.42 -17.88 65.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.739 0.815 . . . . 0.0 112.374 168.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.6 m -113.99 15.98 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.153 1.781 . . . . 0.0 113.268 168.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.93 25.24 46.04 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 116.959 1.544 . . . . 0.0 116.959 168.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.0 119.11 10.15 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.418 1.609 . . . . 0.0 111.255 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -75.29 -43.39 51.38 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -167.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -68.84 174.33 4.49 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.815 1.646 . . . . 0.0 113.003 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -112.37 1.54 16.07 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.498 1.919 . . . . 0.0 115.763 169.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 p -138.29 140.32 39.53 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.1 1.76 . . . . 0.0 106.961 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -143.81 155.58 44.19 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -171.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -85.48 159.79 19.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.519 1.128 . . . . 0.0 114.006 167.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.6 mtp -57.69 -36.79 72.44 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.046 1.294 . . . . 0.0 112.8 176.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.46 -42.31 92.46 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.914 1.286 . . . . 0.0 111.592 172.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.58 -41.66 92.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.252 0.933 . . . . 0.0 113.207 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.71 -51.91 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.858 0.863 . . . . 0.0 109.996 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.1 mt -58.48 -43.83 89.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.476 0.71 . . . . 0.0 111.346 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -52.63 -55.72 20.46 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 175.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -64.16 -38.43 91.03 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 175.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -64.44 -40.78 96.38 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.066 0.946 . . . . 0.0 111.553 173.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.66 -43.34 99.39 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 121.616 -0.677 . . . . 0.0 112.235 172.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -61.39 -33.9 74.44 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.363 1.082 . . . . 0.0 113.273 171.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -67.68 -50.34 58.2 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.8 mt -60.63 -38.58 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.509 1.124 . . . . 0.0 111.13 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 44.2 ttm -61.61 -58.22 8.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.288 1.435 . . . . 0.0 111.966 172.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -64.99 -32.5 74.26 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -177.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -81.72 -14.51 56.43 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.809 1.644 . . . . 0.0 114.232 173.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 51.88 48.4 22.87 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.135 2.174 . . . . 0.0 113.513 -174.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.86 -8.12 56.76 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -64.49 147.92 51.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 172.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -60.33 130.71 47.99 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 171.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -59.47 -26.17 65.03 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -87.11 -68.95 0.71 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.714 1.206 . . . . 0.0 111.813 170.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -88.8 99.76 12.62 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.672 0.789 . . . . 0.0 111.402 -177.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -64.67 -19.66 65.85 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.506 -0.746 . . . . 0.0 112.424 -175.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -89.51 10.35 23.16 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.198 1.799 . . . . 0.0 114.223 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.0 mt -126.0 136.2 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.996 1.271 . . . . 0.0 109.906 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.09 139.8 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.919 1.688 . . . . 0.0 112.986 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -122.6 125.92 46.65 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.064 2.146 . . . . 0.0 114.455 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.5 t -158.68 106.44 1.88 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.85 0.86 . . . . 0.0 110.395 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.2 p -121.48 151.45 40.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.563 1.545 . . . . 0.0 111.59 169.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 55.79 25.63 8.6 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.728 1.611 . . . . 0.0 115.214 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -143.65 168.68 19.31 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.721 1.608 . . . . 0.0 108.754 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.1 tp -50.06 -51.05 45.63 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.66 1.584 . . . . 0.0 114.742 -168.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.51 -34.03 77.31 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.267 0.94 . . . . 0.0 113.444 -175.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.77 -33.79 86.44 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 123.598 0.618 . . . . 0.0 112.848 171.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -71.79 -30.46 65.56 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 171.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.25 -56.87 6.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.394 0.677 . . . . 0.0 111.662 169.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.281 32.6 m-85 -69.17 -26.05 64.66 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 117.526 2.417 . . . . 0.0 117.526 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.36 16.18 77.24 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.905 0.764 . . . . 0.0 114.431 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.68 151.09 62.3 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 126.236 1.814 . . . . 0.0 109.16 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.8 -22.11 24.06 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.557 2.838 . . . . 0.0 113.314 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.3 p -161.05 160.92 31.09 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.931 1.292 . . . . 0.0 112.879 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -157.22 155.95 31.74 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.165 0.986 . . . . 0.0 110.471 173.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.6 t -87.33 128.43 35.18 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.125 0.97 . . . . 0.0 112.167 170.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.81 -37.23 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.627 1.571 . . . . 0.0 112.514 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.33 -24.87 62.19 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.544 1.138 . . . . 0.0 113.024 -178.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -77.7 56.5 1.49 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.221 1.408 . . . . 0.0 111.514 172.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -49.98 -40.35 43.85 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.398 1.479 . . . . 0.0 114.293 -168.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -50.42 -42.35 53.71 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.299 1.44 . . . . 0.0 114.132 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -73.28 -31.11 63.87 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.569 1.148 . . . . 0.0 112.34 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.7 mt -72.11 -45.97 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.825 -0.547 . . . . 0.0 110.821 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -56.12 -46.33 79.2 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.4 t -61.63 -38.05 86.22 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 174.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 74.2 mtm -72.73 -43.23 63.21 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.335 0.654 . . . . 0.0 112.037 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.1 mmm -63.41 -40.22 96.61 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.956 0.902 . . . . 0.0 111.728 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.23 86.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.037 0.535 . . . . 0.0 111.919 173.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.5 m -70.76 -11.56 61.02 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 40.0 mtt -84.84 -4.18 58.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.241 1.016 . . . . 0.0 113.699 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.251 1.1 p -133.25 -36.87 0.98 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.96 157.18 24.95 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.916 1.722 . . . . 0.0 113.371 170.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.02 -158.47 50.47 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.197 0.903 . . . . 0.0 114.11 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -151.45 152.73 33.44 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.039 1.336 . . . . 0.0 111.798 176.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -79.97 155.78 27.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.277 1.031 . . . . 0.0 112.458 174.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 97.2 mtp -75.13 -15.65 60.58 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 170.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.521 2.01 . . . . 0.0 113.214 178.596 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 118.987 -0.53 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -58.38 156.63 29.86 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.892 3.061 . . . . 0.0 113.766 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -140.54 163.42 32.89 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.282 1.833 . . . . 0.0 112.84 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -40.48 -45.46 2.24 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 176.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -63.97 -27.07 68.88 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -65.98 -36.18 82.62 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.011 -1.056 . . . . 0.0 111.697 173.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -68.0 -40.02 83.1 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 168.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -73.42 -36.59 66.0 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.972 0.509 . . . . 0.0 112.057 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 19.4 tp -59.85 -31.26 69.6 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.459 -1.401 . . . . 0.0 112.182 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -67.38 -18.68 65.23 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.609 1.563 . . . . 0.0 112.884 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.4 mt -75.32 -49.59 18.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.394 1.078 . . . . 0.0 111.727 169.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.2 ptp -72.04 -23.57 61.4 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.825 0.739 . . . . 0.0 111.926 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -94.4 20.76 7.87 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.962 1.705 . . . . 0.0 111.487 167.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.33 -22.5 72.93 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.788 1.185 . . . . 0.0 115.13 -170.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.06 -9.29 56.65 Favored Glycine 0 CA--C 1.54 1.646 0 CA-C-N 118.4 1.1 . . . . 0.0 114.0 169.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.51 -149.74 6.28 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.965 1.745 . . . . 0.0 114.027 173.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -52.44 -27.14 14.83 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.667 1.987 . . . . 0.0 116.026 -168.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.498 HD22 ' CD2' ' A' ' 102' ' ' HIS . 12.3 p-10 -77.19 -27.96 53.76 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.1 mt -136.34 12.47 3.27 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 120.031 1.287 . . . . 0.0 114.335 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -57.17 -30.61 64.64 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 118.324 2.713 . . . . 0.0 118.324 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.287 36.3 t80 -55.43 128.45 34.39 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 117.882 2.549 . . . . 0.0 117.882 -175.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -82.24 93.33 7.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.441 1.097 . . . . 0.0 111.177 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.5 -146.75 11.98 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.13 0.871 . . . . 0.0 113.592 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.93 178.5 0.81 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.964 1.706 . . . . 0.0 112.858 172.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m 63.62 12.15 6.29 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 t -143.35 138.09 15.22 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.888 1.675 . . . . 0.0 106.844 -169.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.88 145.35 50.44 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.061 3.174 . . . . 0.0 113.177 -172.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -82.16 162.56 22.4 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 170.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 p30 -71.66 -44.51 64.16 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 173.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.72 155.33 17.56 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.47 1.51 . . . . 0.0 114.101 -176.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.42 137.84 56.21 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.891 0.876 . . . . 0.0 112.45 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.346 0.4 OUTLIER 56.59 23.93 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 179.277 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.275 1.2 t -60.14 144.25 50.3 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -176.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.38 0.2 OUTLIER 61.62 6.57 1.58 Allowed 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 -175.611 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t 56.15 -168.24 0.1 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.116 1.766 . . . . 0.0 113.233 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.4 137.94 57.81 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.819 -1.175 . . . . 0.0 111.616 174.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 24.5 pt -72.61 150.4 91.15 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 123.941 0.896 . . . . 0.0 113.17 -175.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -72.28 179.84 4.65 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 123.602 2.868 . . . . 0.0 111.297 169.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.48 148.17 29.24 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.502 -0.749 . . . . 0.0 112.008 170.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.6 p -63.78 -8.95 12.09 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -173.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -64.38 -21.24 66.57 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.385 1.474 . . . . 0.0 113.585 171.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -141.82 148.66 39.22 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.548 1.139 . . . . 0.0 112.994 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.22 151.55 47.33 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.915 1.286 . . . . 0.0 112.787 176.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.75 128.63 18.46 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.25 153.43 19.29 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.276 1.43 . . . . 0.0 112.581 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.7 m -126.81 159.42 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 127.459 2.304 . . . . 0.0 112.281 169.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.97 90.86 5.71 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 124.663 1.185 . . . . 0.0 110.078 172.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -64.56 145.62 87.67 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.685 2.256 . . . . 0.0 111.857 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 112' ' ' MET . 15.7 ptpt -61.87 157.71 48.16 Favored Pre-proline 0 N--CA 1.479 1.014 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.925 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -54.67 -37.44 91.32 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.127 2.551 . . . . 0.0 115.255 -172.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.31 -44.14 97.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.574 0.749 . . . . 0.0 112.216 175.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.1 tp -70.35 -46.38 64.24 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 123.499 0.72 . . . . 0.0 110.157 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.568 HD11 ' HE2' ' A' ' 45' ' ' LYS . 44.2 tp -56.68 -42.27 78.75 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.819 -0.55 . . . . 0.0 112.098 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -62.0 -39.26 91.62 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.775 0.83 . . . . 0.0 112.823 171.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.93 -42.94 94.25 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.103 0.961 . . . . 0.0 111.485 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.87 -46.16 86.19 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.546 1.138 . . . . 0.0 110.671 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.568 ' HE2' HD11 ' A' ' 41' ' ' LEU . 44.4 mttm -66.59 -22.99 66.13 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.5 m -64.03 -19.2 65.03 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.967 0.803 . . . . 0.0 113.127 170.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.7 m -113.41 19.8 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.805 1.642 . . . . 0.0 112.911 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.02 34.78 32.56 Favored Glycine 0 CA--C 1.532 1.141 0 N-CA-C 116.031 1.172 . . . . 0.0 116.031 168.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.33 -21.24 64.76 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 118.966 1.383 . . . . 0.0 114.077 -177.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 65.71 -47.4 0.39 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 129.222 3.009 . . . . 0.0 117.769 170.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -69.12 173.06 5.92 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.151 1.38 . . . . 0.0 113.714 -176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 38.4 p30 -101.66 -10.11 20.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.708 1.603 . . . . 0.0 114.659 169.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -146.4 143.85 29.33 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.998 1.719 . . . . 0.0 106.984 -171.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -147.56 154.9 41.29 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -168.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -76.42 157.22 32.47 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 165.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.8 mmm -60.53 -30.72 69.92 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 120.488 -1.382 . . . . 0.0 112.946 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -66.32 -44.36 83.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.608 1.163 . . . . 0.0 111.224 173.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.57 -42.57 95.54 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.187 0.995 . . . . 0.0 112.765 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.13 -49.77 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 118.568 -0.729 . . . . 0.0 109.46 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.4 mt -60.04 -43.28 95.45 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.27 0.941 . . . . 0.0 111.756 176.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.87 -56.7 17.44 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -65.55 -38.73 90.44 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.69 -45.71 92.82 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.305 1.042 . . . . 0.0 111.174 173.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.02 99.98 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 123.624 0.63 . . . . 0.0 113.271 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -64.95 -32.97 74.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.934 1.294 . . . . 0.0 112.51 174.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -65.91 -50.47 64.35 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 170.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.0 mt -58.68 -39.92 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.756 1.222 . . . . 0.0 111.099 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.8 ttm -62.95 -58.74 6.32 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.707 1.603 . . . . 0.0 112.073 173.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 t -66.35 -33.36 75.56 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -174.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.17 -1.03 42.98 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.208 1.403 . . . . 0.0 113.785 171.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 53.07 38.4 27.27 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 127.598 2.359 . . . . 0.0 113.339 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.4 mt -71.19 -10.35 59.6 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -172.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -66.88 146.96 53.85 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 169.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -66.62 130.85 44.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 -59.18 -26.92 65.21 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -84.05 -65.14 1.04 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.362 1.065 . . . . 0.0 111.39 172.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -99.86 88.14 3.7 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.223 1.009 . . . . 0.0 110.655 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -67.17 -11.51 57.52 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -82.53 -0.19 45.48 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.123 1.369 . . . . 0.0 113.634 169.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.0 mt -111.83 126.0 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.418 1.487 . . . . 0.0 109.661 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.1 t -97.29 131.59 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.591 1.556 . . . . 0.0 109.71 175.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -98.62 134.34 41.69 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.71 1.604 . . . . 0.0 114.043 168.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.1 p -145.3 18.85 1.56 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -169.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 p -59.3 105.39 0.34 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.687 1.195 . . . . 0.0 113.315 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . 0.27 0.9 OUTLIER 53.36 13.79 0.47 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 128.919 2.888 . . . . 0.0 117.734 176.25 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.312 11.3 p30 -99.27 59.37 1.13 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.87 1.668 . . . . 0.0 114.662 175.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.8 tp 62.86 -53.38 0.17 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 128.859 2.864 . . . . 0.0 114.727 -172.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.11 -34.0 74.27 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -172.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.71 -24.97 74.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 121.523 -0.736 . . . . 0.0 114.201 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -71.15 -27.98 63.94 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.736 1.268 . . . . 0.0 113.871 170.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.34 -59.46 2.77 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.175 0.99 . . . . 0.0 112.077 169.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . 0.314 32.5 m-85 -69.26 -21.64 63.89 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.39 16.68 80.47 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.366 0.984 . . . . 0.0 114.906 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 m -143.26 154.96 61.51 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 125.789 1.636 . . . . 0.0 110.164 -175.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.88 -21.26 16.34 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.833 3.022 . . . . 0.0 113.63 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.9 p -164.61 161.75 21.15 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.59 1.556 . . . . 0.0 111.865 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -155.33 154.7 32.46 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.018 0.927 . . . . 0.0 111.164 172.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.6 t -87.13 127.79 35.13 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.591 -0.693 . . . . 0.0 111.351 169.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.22 -22.69 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.793 1.637 . . . . 0.0 112.815 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.93 -22.69 66.95 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.314 1.446 . . . . 0.0 113.831 173.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -81.9 52.29 1.92 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.302 1.441 . . . . 0.0 111.961 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.498 ' CD2' HD22 ' A' ' 6' ' ' ASN . 91.1 m-70 -50.71 -46.65 59.04 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.623 1.569 . . . . 0.0 114.514 -169.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -69.17 -30.06 68.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -72.8 -44.74 61.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.415 0.686 . . . . 0.0 110.384 172.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.9 mt -56.98 -46.44 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.987 -0.53 . . . . 0.0 110.382 174.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -49.67 -50.67 42.62 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.29 1.0 OUTLIER -67.12 -38.02 84.88 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 176.308 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 71.7 mtm -67.26 -38.35 84.99 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.597 -0.69 . . . . 0.0 112.001 174.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -80.21 -30.73 38.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.574 1.15 . . . . 0.0 112.212 -177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.07 -34.15 77.36 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.137 -0.977 . . . . 0.0 111.381 169.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.2 m -67.68 -5.44 15.88 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 173.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.416 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 44.8 mtt -89.61 -13.8 36.38 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.399 1.079 . . . . 0.0 113.557 170.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 p -131.96 -14.59 3.08 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -172.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -146.84 -154.82 6.3 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 126.285 1.898 . . . . 0.0 112.743 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.36 -150.33 28.5 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.192 0.901 . . . . 0.0 113.216 -174.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -147.42 166.48 27.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.874 1.27 . . . . 0.0 112.798 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -68.75 149.46 49.0 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.823 0.849 . . . . 0.0 111.475 169.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.6 ptm -78.87 -14.92 58.97 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.929 1.728 . . . . 0.0 112.97 -179.549 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -11' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 118.971 -0.537 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -10' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -70.34 142.7 46.03 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 122.967 2.445 . . . . 0.0 111.346 173.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -9' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -144.17 152.84 41.44 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.468 1.507 . . . . 0.0 112.619 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -8' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -47.99 -47.63 32.96 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 175.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -7' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -66.31 -27.93 68.29 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -174.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.16 -36.63 84.84 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.957 -1.089 . . . . 0.0 112.075 173.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -69.94 -41.16 74.94 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' TRP . . . . . . . . . . . . . 32.3 t-105 -71.88 -35.24 69.7 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.902 0.881 . . . . 0.0 111.941 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' LEU . . . . . . . . . . . . . 17.3 tp -62.07 -30.63 71.13 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.647 -1.283 . . . . 0.0 112.181 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -68.29 -16.3 63.9 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.623 1.169 . . . . 0.0 113.178 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.31 -56.78 5.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.345 0.658 . . . . 0.0 109.896 167.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.2 ptp -71.95 -24.0 61.54 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -174.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -95.39 9.38 40.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.69 1.596 . . . . 0.0 113.617 173.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.79 -15.32 68.83 Favored Glycine 0 CA--C 1.538 1.52 0 O-C-N 121.127 -0.983 . . . . 0.0 115.111 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.36 -173.04 39.46 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.6 1.571 . . . . 0.0 112.753 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.57 -7.47 88.05 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.022 0.82 . . . . 0.0 115.036 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -141.08 170.27 16.04 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.396 1.879 . . . . 0.0 110.913 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -76.24 45.73 0.38 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.09 1.756 . . . . 0.0 112.905 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tp 53.46 35.87 21.73 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.277 2.231 . . . . 0.0 114.76 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -63.43 147.66 50.65 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . 0.277 34.6 t80 -55.14 -36.39 65.73 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 117.726 2.491 . . . . 0.0 117.726 -175.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -137.71 134.83 35.81 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.127 1.371 . . . . 0.0 110.8 169.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.23 176.44 35.24 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.057 1.313 . . . . 0.0 112.746 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -81.13 155.25 26.33 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.625 0.77 . . . . 0.0 112.526 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 m 56.35 26.89 11.17 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 169.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.35 144.34 16.53 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 125.646 1.578 . . . . 0.0 108.464 -175.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -72.85 156.27 52.86 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.923 3.082 . . . . 0.0 113.153 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -43.81 86.71 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -155.92 -59.44 0.1 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.594 1.558 . . . . 0.0 114.364 175.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.82 151.04 19.75 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.136 1.827 . . . . 0.0 112.077 169.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.47 38.95 0.12 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.801 1.64 . . . . 0.0 115.127 -172.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 m -74.64 -18.41 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.621 1.569 . . . . 0.0 114.579 177.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 p -72.29 162.12 29.91 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.264 1.0 OUTLIER -63.11 155.26 28.45 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 -178.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -78.61 43.43 0.48 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.197 1.399 . . . . 0.0 112.84 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -70.23 114.9 8.83 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.664 -1.272 . . . . 0.0 110.856 175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -74.25 145.03 82.45 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.977 0.911 . . . . 0.0 112.29 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.06 157.02 55.18 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.283 2.655 . . . . 0.0 112.963 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.18 132.55 13.72 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.995 1.318 . . . . 0.0 111.236 171.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.1 t -162.92 153.08 16.15 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.55 1.54 . . . . 0.0 111.181 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -79.38 -13.26 59.73 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.748 1.219 . . . . 0.0 113.043 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -149.66 161.16 42.75 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.187 1.395 . . . . 0.0 113.547 -171.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -139.99 139.46 36.06 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.504 1.522 . . . . 0.0 111.415 174.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.39 134.27 48.82 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 -174.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -76.74 143.16 40.12 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.044 0.938 . . . . 0.0 111.525 170.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 m -106.54 -24.68 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 47.02 74.36 0.83 Allowed Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 127.211 2.204 . . . . 0.0 112.754 -172.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.38 170.1 20.71 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.164 2.576 . . . . 0.0 112.99 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -58.5 148.93 63.49 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 123.931 0.892 . . . . 0.0 112.219 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -62.6 -25.77 75.56 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.029 2.486 . . . . 0.0 113.582 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 tp -61.12 -35.74 77.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.921 0.888 . . . . 0.0 112.264 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -77.26 -41.06 42.49 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.154 0.582 . . . . 0.0 111.714 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.3 tp -53.93 -40.28 66.62 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.978 0.511 . . . . 0.0 111.537 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.52 -40.56 91.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.898 0.879 . . . . 0.0 113.078 172.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.68 -43.71 92.67 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.02 0.928 . . . . 0.0 111.987 174.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.79 -42.24 95.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.53 0.732 . . . . 0.0 110.501 177.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -70.12 -21.25 63.13 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.609 -1.307 . . . . 0.0 114.41 176.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.6 m -64.36 -21.07 66.5 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 118.951 0.796 . . . . 0.0 112.842 169.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 m -108.43 15.69 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 125.841 1.657 . . . . 0.0 113.335 168.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.25 33.49 39.84 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.845 1.212 . . . . 0.0 114.78 170.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.49 135.9 54.9 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 118.67 1.235 . . . . 0.0 110.681 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -83.46 -3.66 57.8 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 118.249 2.685 . . . . 0.0 118.249 -165.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -130.37 175.57 8.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.381 1.472 . . . . 0.0 113.714 -169.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -107.2 -1.02 22.27 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.225 1.81 . . . . 0.0 115.293 168.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 p -143.4 144.22 31.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.524 1.93 . . . . 0.0 107.038 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -145.36 157.48 44.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.909 1.284 . . . . 0.0 113.981 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -83.47 161.13 21.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.441 1.096 . . . . 0.0 113.714 167.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 29.5 mtp -58.4 -35.58 72.24 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.789 -1.194 . . . . 0.0 112.801 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -65.09 -45.53 84.83 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.493 1.117 . . . . 0.0 111.283 174.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.9 -41.27 95.73 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.106 0.962 . . . . 0.0 112.911 177.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.34 -48.13 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 118.425 -0.798 . . . . 0.0 109.642 175.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.3 mt -58.31 -45.59 87.72 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.644 1.111 . . . . 0.0 111.303 175.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -53.82 -52.6 59.84 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 116.307 1.965 . . . . 0.0 116.307 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -71.96 -34.6 69.12 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.8 tp -65.24 -41.57 94.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.185 0.994 . . . . 0.0 111.569 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.1 99.74 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 121.614 -0.679 . . . . 0.0 112.621 172.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -62.07 -35.67 79.35 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.129 0.964 . . . . 0.0 113.329 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -66.21 -48.28 71.12 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.519 0.6 . . . . 0.0 112.405 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.7 mt -60.2 -38.64 78.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.262 1.025 . . . . 0.0 111.433 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.9 mtm -63.6 -56.49 15.48 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 172.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 t -63.13 -32.53 73.94 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -80.73 -17.94 49.42 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.79 1.636 . . . . 0.0 114.467 173.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 50.96 49.83 20.35 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 127.013 2.125 . . . . 0.0 113.296 -172.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.9 mt -73.79 -10.38 59.61 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -66.68 151.51 47.24 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 173.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.69 134.21 53.75 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 170.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -65.43 -27.86 68.82 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -81.42 -45.19 16.42 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.177 0.991 . . . . 0.0 111.587 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -129.67 100.28 5.45 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.126 1.37 . . . . 0.0 112.722 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -66.12 -15.7 63.33 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -73.94 -2.63 24.81 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 172.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.7 mt -116.82 135.16 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.642 1.577 . . . . 0.0 109.632 177.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.78 134.64 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.72 1.608 . . . . 0.0 110.538 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . 0.277 65.1 m-85 -109.71 65.1 0.61 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 127.248 2.219 . . . . 0.0 115.374 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 p -70.88 -0.86 10.06 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 -172.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.4 t -51.82 143.7 12.71 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.316 1.846 . . . . 0.0 114.819 -175.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 56.08 26.74 10.46 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.459 1.904 . . . . 0.0 115.029 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -143.46 173.45 11.62 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.95 1.3 . . . . 0.0 108.624 -178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.3 tp -54.74 -40.52 69.4 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.571 1.548 . . . . 0.0 113.466 -172.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.33 -35.98 76.48 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 178.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.44 -36.02 92.08 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 121.65 -0.656 . . . . 0.0 112.346 173.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.77 -31.0 71.35 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 170.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.8 mt -75.75 -58.0 3.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.967 1.307 . . . . 0.0 112.637 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -70.21 -21.07 63.06 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.49 20.91 76.21 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.484 1.04 . . . . 0.0 114.774 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.37 153.4 65.97 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 125.323 1.449 . . . . 0.0 110.732 -176.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -73.34 -26.42 14.47 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.512 2.808 . . . . 0.0 113.454 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 85.9 p -162.2 160.35 26.93 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.807 1.243 . . . . 0.0 112.186 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -157.19 157.68 34.83 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.255 1.022 . . . . 0.0 109.904 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -91.63 130.36 37.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.946 0.898 . . . . 0.0 111.367 169.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.69 -26.74 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.566 1.146 . . . . 0.0 112.478 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -70.3 -16.24 62.99 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.49 1.116 . . . . 0.0 113.263 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -77.03 52.29 0.87 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.624 -1.297 . . . . 0.0 111.612 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -53.07 -45.78 68.28 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.315 1.446 . . . . 0.0 112.637 -171.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.3 ttm105 -58.78 -38.55 78.77 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.155 1.382 . . . . 0.0 112.972 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -69.24 -47.94 63.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.205 1.002 . . . . 0.0 110.906 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.9 mt -56.63 -45.99 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.256 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -57.33 -40.92 78.97 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . 0.301 1.0 OUTLIER -73.9 -38.97 64.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 175.581 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 59.9 mtm -64.74 -36.66 85.03 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.353 -0.842 . . . . 0.0 112.158 172.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -34.8 57.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.266 1.026 . . . . 0.0 111.543 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.9 73.12 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.215 -0.928 . . . . 0.0 112.783 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.1 m -63.54 -14.63 53.15 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 55.8 mtt -77.94 -4.85 48.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.705 1.202 . . . . 0.0 114.004 173.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . 0.372 0.7 OUTLIER -114.56 15.48 17.74 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -174.836 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -159.84 -158.14 9.01 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.719 1.628 . . . . 0.0 112.899 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.51 -147.91 37.92 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 123.999 0.809 . . . . 0.0 113.541 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -147.94 166.75 26.74 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.356 1.462 . . . . 0.0 112.229 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -146.39 162.4 38.3 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.514 1.525 . . . . 0.0 111.737 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -64.91 148.74 50.9 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.627 1.171 . . . . 0.0 112.883 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 C-N-CA 125.25 1.405 . . . . 0.0 113.652 176.169 . . . . . . . . 0 0 . 1 stop_ save_